2-HEPTYL-3-HYDROXY-4-QUINOLONE
C₁₆H₂₁NO₂·259.340 g/mol·CID 2763159
IUPAC: 2-heptyl-3-hydroxy-1H-quinolin-4-one
Also known as: 2-heptyl-3-hydroxy-4(1H)-quinolone, 2-heptyl-3-hydroxy-1H-quinolin-4-one, Pseudomonas quinolone signal, 521313-35-9, 2-Heptyl-3-hydroxy-quinolone (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
259.340g/mol
Exact Mass
259.157229Da
Monoisotopic Mass
259.157229Da
XLogP
4.7
Polar Surface Area
49.3Ų
Complexity
349
Formal Charge
0
H-Bond Donors
2
H-Bond Acceptors
3
Rotatable Bonds
6
Heavy Atoms
19
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 259.3 g/mol
MW ≤ 500
✓ 4.7
LogP ≤ 5
✓ 2
H-bond donors ≤ 5
✓ 3
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C16H21NO2/c1-2-3-4-5-6-11-14-16(19)15(18)12-9-7-8-10-13(12)17-14/h7-10,19H,2-6,11H2,1H3,(H,17,18)
Isomers8 compounds with formula C₁₆H₂₁NO₂
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 4946 · 259.3 g/mol
N-[2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide
CID 208902 · 259.3 g/mol
(2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 21138 · 259.3 g/mol
(2S)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 91536 · 259.3 g/mol
methyl (1R,2S,3S,5S)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 170832 · 259.3 g/mol
2-heptyl-1-hydroxyquinolin-4-one
CID 1561 · 259.3 g/mol
N-[2-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide
CID 9881626 · 259.3 g/mol
1-naphthalen-2-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 2769826 · 259.3 g/mol