2-[(8-fluoroquinoline-3-carbonyl)amino]propanoic acid

C13H11FN2O3 — CID 110489629

IUPAC2-[(8-fluoroquinoline-3-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)c1cnc2c(F)cccc2c1)C(=O)O
InChIInChI=1S/C13H11FN2O3/c1-7(13(18)19)16-12(17)9-5-8-3-2-4-10(14)11(8)15-6-9/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeySFRQERKCVOGGFR-UHFFFAOYSA-N
MW262.24 g/mol
LogP1.58
Rot. Bonds3

About 2-[(8-fluoroquinoline-3-carbonyl)amino]propanoic acid

2-[(8-fluoroquinoline-3-carbonyl)amino]propanoic acid (PubChem CID 110489629) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is 2-[(8-fluoroquinoline-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(8-fluoroquinoline-3-carbonyl)amino]propanoic acid
PubChem CID110489629
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC Name2-[(8-fluoroquinoline-3-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)c1cnc2c(F)cccc2c1)C(=O)O
InChIInChI=1S/C13H11FN2O3/c1-7(13(18)19)16-12(17)9-5-8-3-2-4-10(14)11(8)15-6-9/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeySFRQERKCVOGGFR-UHFFFAOYSA-N
XLogP1.58
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]quinoline-3-carboxamide
CID 156852266
1-(8-fluoroquinolin-3-yl)ethanone
CID 75355413
8-fluoroquinoline-3-carboxylic acid;hydrate
CID 90668422
8-fluoro-N-(4-methyl-1-phenylpent-4-en-2-yl)quinoline-3-carboxamide
CID 175504641
8-fluoro-N-(4-methylphenyl)quinoline-3-carboxamide
CID 110489691
8-fluoro-N-pyridin-4-ylquinoline-3-carboxamide
CID 110489666
methyl 3-[(8-fluoroquinoline-3-carbonyl)amino]propanoate
CID 110489648
(2S)-2-[[3-[[(1S)-1-carboxyethyl]carbamoyl]benzoyl]amino]propanoic acid
CID 40571628
8-fluoro-N-(4,4,4-trifluoro-2-phenylbutan-2-yl)quinoline-3-carboxamide
CID 175312240
8-fluoro-N-(2-methylheptan-2-yl)quinoline-3-carboxamide
CID 155104955
ethyl 8-fluoroquinoline-3-carboxylate
CID 15525332
8-fluoro-N-(2-methyl-1-oxo-3-phenylpropan-2-yl)quinoline-3-carboxamide
CID 130421211

Frequently Asked Questions

What is the IUPAC name of 2-[(8-fluoroquinoline-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(8-fluoroquinoline-3-carbonyl)amino]propanoic acid (CID 110489629) is 2-[(8-fluoroquinoline-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(8-fluoroquinoline-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(8-fluoroquinoline-3-carbonyl)amino]propanoic acid is CC(NC(=O)c1cnc2c(F)cccc2c1)C(=O)O.
What is the InChIKey of 2-[(8-fluoroquinoline-3-carbonyl)amino]propanoic acid?
The InChIKey is SFRQERKCVOGGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3/c1-7(13(18)19)16-12(17)9-5-8-3-2-4-10(14)11(8)15-6-9/h2-7H,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(8-fluoroquinoline-3-carbonyl)amino]propanoic acid?
2-[(8-fluoroquinoline-3-carbonyl)amino]propanoic acid has a molecular weight of 262.24 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-fluoroquinoline-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 110489629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).