2-[3-[[(4S)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]pyrazol-1-yl]acetic acid

C15H13FN4O4 — CID 125152855

IUPAC2-[3-[[(4S)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)n1
InChIInChI=1S/C15H13FN4O4/c16-8-1-2-9-10(6-13(21)17-11(9)5-8)15(24)18-12-3-4-20(19-12)7-14(22)23/h1-5,10H,6-7H2,(H,17,21)(H,22,23)(H,18,19,24)/t10-/m0/s1
InChIKeyQVEXHKSGWSSTFL-JTQLQIEISA-N
MW332.29 g/mol
LogP1.17
Rot. Bonds4

About 2-[3-[[(4S)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]pyrazol-1-yl]acetic acid

2-[3-[[(4S)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]pyrazol-1-yl]acetic acid (PubChem CID 125152855) has the molecular formula C15H13FN4O4 and a molecular weight of 332.29 g/mol. Its IUPAC name is 2-[3-[[(4S)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[[(4S)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]pyrazol-1-yl]acetic acid
PubChem CID125152855
Molecular FormulaC15H13FN4O4
Molecular Weight332.29 g/mol
Exact Mass332.09
IUPAC Name2-[3-[[(4S)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)n1
InChIInChI=1S/C15H13FN4O4/c16-8-1-2-9-10(6-13(21)17-11(9)5-8)15(24)18-12-3-4-20(19-12)7-14(22)23/h1-5,10H,6-7H2,(H,17,21)(H,22,23)(H,18,19,24)/t10-/m0/s1
InChIKeyQVEXHKSGWSSTFL-JTQLQIEISA-N
XLogP1.17
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[3-[[(4S)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]pyrazol-1-yl]acetic acid with MolForge

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Related Compounds

2-[3-[(2-oxo-3,4-dihydro-1H-1,8-naphthyridine-4-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 166335394
(4S)-7-fluoro-N-(4-methyl-2-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 41492301
2-[3-[[(1S,2S)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid
CID 124569997
2-[3-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 124569905
N-cyclopropyl-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18136489
7-fluoro-N-[4-(2-hydroxyethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 110922966
4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-4-methylpentanoic acid
CID 119203639
7-fluoro-N-(2-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46517479
N-[2-(2-amino-2-oxoethyl)phenyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 86929203
(4S)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 94007045
1-[[(4S)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 97311297
N-(1,3-benzothiazol-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18138508

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(4S)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[[(4S)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]pyrazol-1-yl]acetic acid (CID 125152855) is 2-[3-[[(4S)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[[(4S)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[[(4S)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]pyrazol-1-yl]acetic acid is O=C(O)Cn1ccc(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)n1.
What is the InChIKey of 2-[3-[[(4S)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]pyrazol-1-yl]acetic acid?
The InChIKey is QVEXHKSGWSSTFL-JTQLQIEISA-N. The full InChI is InChI=1S/C15H13FN4O4/c16-8-1-2-9-10(6-13(21)17-11(9)5-8)15(24)18-12-3-4-20(19-12)7-14(22)23/h1-5,10H,6-7H2,(H,17,21)(H,22,23)(H,18,19,24)/t10-/m0/s1.
What are the key properties of 2-[3-[[(4S)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]pyrazol-1-yl]acetic acid?
2-[3-[[(4S)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]pyrazol-1-yl]acetic acid has a molecular weight of 332.29 g/mol, XLogP of 1.17, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(4S)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 125152855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).