3-[(2-oxo-1H-quinolin-3-yl)methylamino]-3-phenylpropanoic acid

C19H18N2O3 — CID 166226957

IUPAC3-[(2-oxo-1H-quinolin-3-yl)methylamino]-3-phenylpropanoic acid
SMILESO=C(O)CC(NCc1cc2ccccc2[nH]c1=O)c1ccccc1
InChIInChI=1S/C19H18N2O3/c22-18(23)11-17(13-6-2-1-3-7-13)20-12-15-10-14-8-4-5-9-16(14)21-19(15)24/h1-10,17,20H,11-12H2,(H,21,24)(H,22,23)
InChIKeyTWFGSOMKVIZWLZ-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.83
Rot. Bonds6

About 3-[(2-oxo-1H-quinolin-3-yl)methylamino]-3-phenylpropanoic acid

3-[(2-oxo-1H-quinolin-3-yl)methylamino]-3-phenylpropanoic acid (PubChem CID 166226957) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 3-[(2-oxo-1H-quinolin-3-yl)methylamino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-[(2-oxo-1H-quinolin-3-yl)methylamino]-3-phenylpropanoic acid
PubChem CID166226957
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name3-[(2-oxo-1H-quinolin-3-yl)methylamino]-3-phenylpropanoic acid
SMILESO=C(O)CC(NCc1cc2ccccc2[nH]c1=O)c1ccccc1
InChIInChI=1S/C19H18N2O3/c22-18(23)11-17(13-6-2-1-3-7-13)20-12-15-10-14-8-4-5-9-16(14)21-19(15)24/h1-10,17,20H,11-12H2,(H,21,24)(H,22,23)
InChIKeyTWFGSOMKVIZWLZ-UHFFFAOYSA-N
XLogP2.83
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]-3-phenylpropanoic acid;hydrobromide
CID 70271843
(2S)-4-methyl-2-[(2-oxo-1H-quinolin-3-yl)methylamino]pentanoic acid
CID 120510789
N-[(R)-cyclobutyl(phenyl)methyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide
CID 97081084
(3R)-3-(benzylamino)-3-phenylpropanoic acid
CID 753607
N-ethyl-N-methyl-2-[(2-oxo-1H-quinolin-3-yl)methylamino]propanamide
CID 103107561
3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one
CID 93081788
3-(3,4-dimethoxyphenyl)-3-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]propanoic acid
CID 139010405
N-(1-naphthalen-2-ylethyl)-2-(2-oxo-1H-quinolin-3-yl)acetamide
CID 51115860
3-[(phenylmethoxyamino)methyl]-1H-quinolin-2-one
CID 82712733
3-(4-fluorophenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]butanamide
CID 110619584
3-[(2-hydroxyanilino)methyl]-1H-quinolin-2-one
CID 46950057
3-[(4-methylsulfanylbutan-2-ylamino)methyl]-1H-quinolin-2-one
CID 115640570

Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxo-1H-quinolin-3-yl)methylamino]-3-phenylpropanoic acid?
The IUPAC name of 3-[(2-oxo-1H-quinolin-3-yl)methylamino]-3-phenylpropanoic acid (CID 166226957) is 3-[(2-oxo-1H-quinolin-3-yl)methylamino]-3-phenylpropanoic acid.
What is the SMILES notation for 3-[(2-oxo-1H-quinolin-3-yl)methylamino]-3-phenylpropanoic acid?
The canonical SMILES for 3-[(2-oxo-1H-quinolin-3-yl)methylamino]-3-phenylpropanoic acid is O=C(O)CC(NCc1cc2ccccc2[nH]c1=O)c1ccccc1.
What is the InChIKey of 3-[(2-oxo-1H-quinolin-3-yl)methylamino]-3-phenylpropanoic acid?
The InChIKey is TWFGSOMKVIZWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c22-18(23)11-17(13-6-2-1-3-7-13)20-12-15-10-14-8-4-5-9-16(14)21-19(15)24/h1-10,17,20H,11-12H2,(H,21,24)(H,22,23).
What are the key properties of 3-[(2-oxo-1H-quinolin-3-yl)methylamino]-3-phenylpropanoic acid?
3-[(2-oxo-1H-quinolin-3-yl)methylamino]-3-phenylpropanoic acid has a molecular weight of 322.36 g/mol, XLogP of 2.83, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxo-1H-quinolin-3-yl)methylamino]-3-phenylpropanoic acid is sourced from PubChem (CID 166226957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).