4-oxo-4-(quinolin-3-ylamino)butanoic acid

C13H12N2O3 — CID 861757

IUPAC4-oxo-4-(quinolin-3-ylamino)butanoic acid
SMILESO=C(O)CCC(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C13H12N2O3/c16-12(5-6-13(17)18)15-10-7-9-3-1-2-4-11(9)14-8-10/h1-4,7-8H,5-6H2,(H,15,16)(H,17,18)
InChIKeyGSONHOBISRYTOK-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.04
Rot. Bonds4

About 4-oxo-4-(quinolin-3-ylamino)butanoic acid

4-oxo-4-(quinolin-3-ylamino)butanoic acid (PubChem CID 861757) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 4-oxo-4-(quinolin-3-ylamino)butanoic acid.

Molecular Properties

Compound Name4-oxo-4-(quinolin-3-ylamino)butanoic acid
PubChem CID861757
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name4-oxo-4-(quinolin-3-ylamino)butanoic acid
SMILESO=C(O)CCC(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C13H12N2O3/c16-12(5-6-13(17)18)15-10-7-9-3-1-2-4-11(9)14-8-10/h1-4,7-8H,5-6H2,(H,15,16)(H,17,18)
InChIKeyGSONHOBISRYTOK-UHFFFAOYSA-N
XLogP2.04
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-oxo-2-(quinolin-3-ylamino)ethoxy]acetic acid
CID 61329390
2,2-dimethylpropane;3-phenyl-N-quinolin-3-ylpropanamide
CID 91168668
4-(4-chlorophenyl)-4-oxo-N-quinolin-3-ylbutanamide
CID 32837503
3-(benzenesulfonamido)-N-quinolin-3-ylpropanamide
CID 52553671
2-[methyl(quinolin-3-ylcarbamoyl)amino]acetic acid
CID 55115598
N-quinolin-3-yl-3-thiophen-3-ylpropanamide
CID 29330989
4-oxo-4-[2-(quinoline-3-carbonyl)hydrazinyl]butanoic acid
CID 71515447
3-phenyl-N-(quinolin-3-ylcarbamoyl)propanamide
CID 69378485
3-(4-pentylphenyl)-N-quinolin-3-ylpropanamide
CID 11725197
2-(4-acetamidophenyl)-N-quinolin-3-ylacetamide
CID 18146526
N-(4-chlorophenyl)-2-[(S)-[2-oxo-2-(quinolin-3-ylamino)ethyl]sulfinyl]acetamide
CID 51508267
4-(4-oxo-3H-quinazolin-2-yl)-N-quinolin-3-ylbutanamide
CID 135939873

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(quinolin-3-ylamino)butanoic acid?
The IUPAC name of 4-oxo-4-(quinolin-3-ylamino)butanoic acid (CID 861757) is 4-oxo-4-(quinolin-3-ylamino)butanoic acid.
What is the SMILES notation for 4-oxo-4-(quinolin-3-ylamino)butanoic acid?
The canonical SMILES for 4-oxo-4-(quinolin-3-ylamino)butanoic acid is O=C(O)CCC(=O)Nc1cnc2ccccc2c1.
What is the InChIKey of 4-oxo-4-(quinolin-3-ylamino)butanoic acid?
The InChIKey is GSONHOBISRYTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c16-12(5-6-13(17)18)15-10-7-9-3-1-2-4-11(9)14-8-10/h1-4,7-8H,5-6H2,(H,15,16)(H,17,18).
What are the key properties of 4-oxo-4-(quinolin-3-ylamino)butanoic acid?
4-oxo-4-(quinolin-3-ylamino)butanoic acid has a molecular weight of 244.25 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(quinolin-3-ylamino)butanoic acid is sourced from PubChem (CID 861757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).