2-[2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]phenyl]acetic acid

C20H20N2O4 — CID 119218504

IUPAC2-[2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)CCC1Cc2ccccc2NC1=O
InChIInChI=1S/C20H20N2O4/c23-18(21-16-7-3-2-6-14(16)12-19(24)25)10-9-15-11-13-5-1-4-8-17(13)22-20(15)26/h1-8,15H,9-12H2,(H,21,23)(H,22,26)(H,24,25)
InChIKeyGEDVFXTUTPSUQO-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.84
Rot. Bonds6

About 2-[2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]phenyl]acetic acid

2-[2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]phenyl]acetic acid (PubChem CID 119218504) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-[2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]phenyl]acetic acid
PubChem CID119218504
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name2-[2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)CCC1Cc2ccccc2NC1=O
InChIInChI=1S/C20H20N2O4/c23-18(21-16-7-3-2-6-14(16)12-19(24)25)10-9-15-11-13-5-1-4-8-17(13)22-20(15)26/h1-8,15H,9-12H2,(H,21,23)(H,22,26)(H,24,25)
InChIKeyGEDVFXTUTPSUQO-UHFFFAOYSA-N
XLogP2.84
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 16615477
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 55895212
2-[2-fluoro-4-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]phenyl]acetic acid
CID 122110056
2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-N-(1-phenylethyl)benzamide
CID 16615583
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 16615604
N-[(2-fluorophenyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 16621979
N-(2-hydroxyethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 78839484
N-(5-acetamido-2-fluorophenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 24673978
2-[1-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]cyclobutyl]acetic acid
CID 119218020
N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 60610346
(2R)-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-2-phenylacetic acid
CID 119367609
3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-(4-propylphenyl)propanamide
CID 31306923

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]phenyl]acetic acid?
The IUPAC name of 2-[2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]phenyl]acetic acid (CID 119218504) is 2-[2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]phenyl]acetic acid is O=C(O)Cc1ccccc1NC(=O)CCC1Cc2ccccc2NC1=O.
What is the InChIKey of 2-[2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]phenyl]acetic acid?
The InChIKey is GEDVFXTUTPSUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c23-18(21-16-7-3-2-6-14(16)12-19(24)25)10-9-15-11-13-5-1-4-8-17(13)22-20(15)26/h1-8,15H,9-12H2,(H,21,23)(H,22,26)(H,24,25).
What are the key properties of 2-[2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]phenyl]acetic acid?
2-[2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]phenyl]acetic acid has a molecular weight of 352.39 g/mol, XLogP of 2.84, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]phenyl]acetic acid is sourced from PubChem (CID 119218504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).