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

C15H13FN4O4 — CID 119230476

IUPAC2-[3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc(NC(=O)C2CC(=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)
InChIKeyQVEXHKSGWSSTFL-UHFFFAOYSA-N
MW332.29 g/mol
LogP1.17
Rot. Bonds4

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

2-[3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]pyrazol-1-yl]acetic acid (PubChem CID 119230476) has the molecular formula C15H13FN4O4 and a molecular weight of 332.29 g/mol. Its IUPAC name is 2-[3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]pyrazol-1-yl]acetic acid
PubChem CID119230476
Molecular FormulaC15H13FN4O4
Molecular Weight332.29 g/mol
Exact Mass332.09
IUPAC Name2-[3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc(NC(=O)C2CC(=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)
InChIKeyQVEXHKSGWSSTFL-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]pyrazol-1-yl]acetic acid (CID 119230476) is 2-[3-[(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-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]pyrazol-1-yl]acetic acid is O=C(O)Cn1ccc(NC(=O)C2CC(=O)Nc3cc(F)ccc32)n1.
What is the InChIKey of 2-[3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]pyrazol-1-yl]acetic acid?
The InChIKey is QVEXHKSGWSSTFL-UHFFFAOYSA-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).
What are the key properties of 2-[3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]pyrazol-1-yl]acetic acid?
2-[3-[(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-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 119230476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).