3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-(4-propylphenyl)propanamide

C21H24N2O2 — CID 31306923

IUPAC3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-(4-propylphenyl)propanamide
SMILESCCCc1ccc(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)cc1
InChIInChI=1S/C21H24N2O2/c1-2-5-15-8-11-18(12-9-15)22-20(24)13-10-17-14-16-6-3-4-7-19(16)23-21(17)25/h3-4,6-9,11-12,17H,2,5,10,13-14H2,1H3,(H,22,24)(H,23,25)/t17-/m0/s1
InChIKeyPMIUHGYVLXTWOI-KRWDZBQOSA-N
MW336.44 g/mol
LogP4.17
Rot. Bonds6

About 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-(4-propylphenyl)propanamide

3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-(4-propylphenyl)propanamide (PubChem CID 31306923) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-(4-propylphenyl)propanamide.

Molecular Properties

Compound Name3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-(4-propylphenyl)propanamide
PubChem CID31306923
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-(4-propylphenyl)propanamide
SMILESCCCc1ccc(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)cc1
InChIInChI=1S/C21H24N2O2/c1-2-5-15-8-11-18(12-9-15)22-20(24)13-10-17-14-16-6-3-4-7-19(16)23-21(17)25/h3-4,6-9,11-12,17H,2,5,10,13-14H2,1H3,(H,22,24)(H,23,25)/t17-/m0/s1
InChIKeyPMIUHGYVLXTWOI-KRWDZBQOSA-N
XLogP4.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluoro-4-methylphenyl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 26026495
N-(3-fluoro-4-methylphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 42933936
N-cyclopropyl-4-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]benzamide
CID 43043190
N-(2-butyl-3H-benzimidazol-5-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 47074114
N-(3-chloro-4-fluorophenyl)-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 26062216
N-(3-methoxyphenyl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 51537746
2-[2-fluoro-4-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]phenyl]acetic acid
CID 122110056
N-[2-(4-methoxyphenyl)ethyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 51537762
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 26262421
N-(3-benzyl-4-methoxyphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 18270721
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 134051540
N-(2-methoxyphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 16615477

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-(4-propylphenyl)propanamide?
The IUPAC name of 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-(4-propylphenyl)propanamide (CID 31306923) is 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-(4-propylphenyl)propanamide.
What is the SMILES notation for 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-(4-propylphenyl)propanamide?
The canonical SMILES for 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-(4-propylphenyl)propanamide is CCCc1ccc(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)cc1.
What is the InChIKey of 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-(4-propylphenyl)propanamide?
The InChIKey is PMIUHGYVLXTWOI-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-2-5-15-8-11-18(12-9-15)22-20(24)13-10-17-14-16-6-3-4-7-19(16)23-21(17)25/h3-4,6-9,11-12,17H,2,5,10,13-14H2,1H3,(H,22,24)(H,23,25)/t17-/m0/s1.
What are the key properties of 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-(4-propylphenyl)propanamide?
3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-(4-propylphenyl)propanamide has a molecular weight of 336.44 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-(4-propylphenyl)propanamide is sourced from PubChem (CID 31306923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).