3-(2-oxo-1H-quinolin-3-yl)-N-(3-phenylpropyl)propanamide

C21H22N2O2 — CID 110330993

IUPAC3-(2-oxo-1H-quinolin-3-yl)-N-(3-phenylpropyl)propanamide
SMILESO=C(CCc1cc2ccccc2[nH]c1=O)NCCCc1ccccc1
InChIInChI=1S/C21H22N2O2/c24-20(22-14-6-9-16-7-2-1-3-8-16)13-12-18-15-17-10-4-5-11-19(17)23-21(18)25/h1-5,7-8,10-11,15H,6,9,12-14H2,(H,22,24)(H,23,25)
InChIKeyDSUWRBMZNDNWCY-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.21
Rot. Bonds7

About 3-(2-oxo-1H-quinolin-3-yl)-N-(3-phenylpropyl)propanamide

3-(2-oxo-1H-quinolin-3-yl)-N-(3-phenylpropyl)propanamide (PubChem CID 110330993) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-(2-oxo-1H-quinolin-3-yl)-N-(3-phenylpropyl)propanamide.

Molecular Properties

Compound Name3-(2-oxo-1H-quinolin-3-yl)-N-(3-phenylpropyl)propanamide
PubChem CID110330993
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name3-(2-oxo-1H-quinolin-3-yl)-N-(3-phenylpropyl)propanamide
SMILESO=C(CCc1cc2ccccc2[nH]c1=O)NCCCc1ccccc1
InChIInChI=1S/C21H22N2O2/c24-20(22-14-6-9-16-7-2-1-3-8-16)13-12-18-15-17-10-4-5-11-19(17)23-21(18)25/h1-5,7-8,10-11,15H,6,9,12-14H2,(H,22,24)(H,23,25)
InChIKeyDSUWRBMZNDNWCY-UHFFFAOYSA-N
XLogP3.21
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)-N-(3-phenylpropyl)propanamide
CID 110331396
4-(4-fluorophenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]butanamide
CID 110415150
4-(4-chlorophenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]butanamide
CID 110413628
N-(3-methylbutyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 110330998
3-(benzenesulfonyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 110616746
3-(3-methoxyphenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 110414837
N-(2-morpholin-4-ylethyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 53174593
2-(3-methylphenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 110662740
N-[2-[cyclohexyl(methyl)amino]ethyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 53174634
5-(4-fluorophenyl)-5-oxo-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]pentanamide
CID 110413637
N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 95103339
3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-phenylethyl)propanamide
CID 110331725

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1H-quinolin-3-yl)-N-(3-phenylpropyl)propanamide?
The IUPAC name of 3-(2-oxo-1H-quinolin-3-yl)-N-(3-phenylpropyl)propanamide (CID 110330993) is 3-(2-oxo-1H-quinolin-3-yl)-N-(3-phenylpropyl)propanamide.
What is the SMILES notation for 3-(2-oxo-1H-quinolin-3-yl)-N-(3-phenylpropyl)propanamide?
The canonical SMILES for 3-(2-oxo-1H-quinolin-3-yl)-N-(3-phenylpropyl)propanamide is O=C(CCc1cc2ccccc2[nH]c1=O)NCCCc1ccccc1.
What is the InChIKey of 3-(2-oxo-1H-quinolin-3-yl)-N-(3-phenylpropyl)propanamide?
The InChIKey is DSUWRBMZNDNWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c24-20(22-14-6-9-16-7-2-1-3-8-16)13-12-18-15-17-10-4-5-11-19(17)23-21(18)25/h1-5,7-8,10-11,15H,6,9,12-14H2,(H,22,24)(H,23,25).
What are the key properties of 3-(2-oxo-1H-quinolin-3-yl)-N-(3-phenylpropyl)propanamide?
3-(2-oxo-1H-quinolin-3-yl)-N-(3-phenylpropyl)propanamide has a molecular weight of 334.42 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1H-quinolin-3-yl)-N-(3-phenylpropyl)propanamide is sourced from PubChem (CID 110330993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).