2-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)amino]-4-methylpentanoic acid

C16H17FN2O4 — CID 119188586

IUPAC2-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)c1cc(=O)[nH]c2cc(F)ccc12)C(=O)O
InChIInChI=1S/C16H17FN2O4/c1-8(2)5-13(16(22)23)19-15(21)11-7-14(20)18-12-6-9(17)3-4-10(11)12/h3-4,6-8,13H,5H2,1-2H3,(H,18,20)(H,19,21)(H,22,23)
InChIKeyOCDYXPJLSFJBOK-UHFFFAOYSA-N
MW320.32 g/mol
LogP1.90
Rot. Bonds5

About 2-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)amino]-4-methylpentanoic acid

2-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 119188586) has the molecular formula C16H17FN2O4 and a molecular weight of 320.32 g/mol. Its IUPAC name is 2-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)amino]-4-methylpentanoic acid
PubChem CID119188586
Molecular FormulaC16H17FN2O4
Molecular Weight320.32 g/mol
Exact Mass320.12
IUPAC Name2-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)c1cc(=O)[nH]c2cc(F)ccc12)C(=O)O
InChIInChI=1S/C16H17FN2O4/c1-8(2)5-13(16(22)23)19-15(21)11-7-14(20)18-12-6-9(17)3-4-10(11)12/h3-4,6-8,13H,5H2,1-2H3,(H,18,20)(H,19,21)(H,22,23)
InChIKeyOCDYXPJLSFJBOK-UHFFFAOYSA-N
XLogP1.90
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-methylamino]-2-methylpropanoic acid
CID 119228708
(2R)-2-[(4-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 2451208
2-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]-4-methylpentanoic acid
CID 119188123
(2R)-2-[[2-(difluoromethoxy)-4-fluorobenzoyl]amino]-4-methylpentanoic acid
CID 119364700
ethyl 7-fluoro-2-oxo-1H-quinoline-4-carboxylate
CID 162422252
N-(2-amino-2-ethylbutyl)-7-fluoro-2-oxo-1H-quinoline-4-carboxamide
CID 119641077
N-(1-amino-4-methylpentan-2-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 63887542
N-(1-aminopropan-2-yl)-7-fluoro-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 119582582
N-[(2S)-butan-2-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 94065123
(2R)-2-[(4,5-difluoro-2-iodobenzoyl)amino]-4-methylpentanoic acid
CID 119364479
2-[3-(4-fluorophenyl)propanoylamino]-4-methylpentanoic acid
CID 43092855
N-(3-methylbutan-2-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 75409323

Frequently Asked Questions

What is the IUPAC name of 2-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of 2-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)amino]-4-methylpentanoic acid (CID 119188586) is 2-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)amino]-4-methylpentanoic acid is CC(C)CC(NC(=O)c1cc(=O)[nH]c2cc(F)ccc12)C(=O)O.
What is the InChIKey of 2-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is OCDYXPJLSFJBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4/c1-8(2)5-13(16(22)23)19-15(21)11-7-14(20)18-12-6-9(17)3-4-10(11)12/h3-4,6-8,13H,5H2,1-2H3,(H,18,20)(H,19,21)(H,22,23).
What are the key properties of 2-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)amino]-4-methylpentanoic acid?
2-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 320.32 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 119188586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).