2-fluoro-2-[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)pyrrolidin-3-yl]acetic acid

C16H14F2N2O4 — CID 154868364

IUPAC2-fluoro-2-[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)pyrrolidin-3-yl]acetic acid
SMILESO=C(O)C(F)C1CCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc23)C1
InChIInChI=1S/C16H14F2N2O4/c17-9-1-2-10-11(6-13(21)19-12(10)5-9)15(22)20-4-3-8(7-20)14(18)16(23)24/h1-2,5-6,8,14H,3-4,7H2,(H,19,21)(H,23,24)
InChIKeyBPEYLMVQGIBRFY-UHFFFAOYSA-N
MW336.29 g/mol
LogP1.55
Rot. Bonds3

About 2-fluoro-2-[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)pyrrolidin-3-yl]acetic acid

2-fluoro-2-[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)pyrrolidin-3-yl]acetic acid (PubChem CID 154868364) has the molecular formula C16H14F2N2O4 and a molecular weight of 336.29 g/mol. Its IUPAC name is 2-fluoro-2-[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)pyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-fluoro-2-[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)pyrrolidin-3-yl]acetic acid
PubChem CID154868364
Molecular FormulaC16H14F2N2O4
Molecular Weight336.29 g/mol
Exact Mass336.09
IUPAC Name2-fluoro-2-[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)pyrrolidin-3-yl]acetic acid
SMILESO=C(O)C(F)C1CCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc23)C1
InChIInChI=1S/C16H14F2N2O4/c17-9-1-2-10-11(6-13(21)19-12(10)5-9)15(22)20-4-3-8(7-20)14(18)16(23)24/h1-2,5-6,8,14H,3-4,7H2,(H,19,21)(H,23,24)
InChIKeyBPEYLMVQGIBRFY-UHFFFAOYSA-N
XLogP1.55
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.29
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-2-[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)pyrrolidin-3-yl]acetic acid with MolForge

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Related Compounds

(3S)-1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 119174191
4-(azocane-1-carbonyl)-7-fluoro-1H-quinolin-2-one
CID 71874791
7-fluoro-4-[(3S)-3-pyrrolidin-1-ylpiperidine-1-carbonyl]-1H-quinolin-2-one
CID 95716840
7-fluoro-4-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carbonyl]-1H-quinolin-2-one
CID 126453720
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-7-fluoro-1H-quinolin-2-one;hydrochloride
CID 120814282
(3R,4S)-1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-3-hydroxy-4-propylpiperidine-4-carboxylic acid
CID 135090205
4-(1,4-diazepane-1-carbonyl)-7-fluoro-1H-quinolin-2-one;hydrochloride
CID 119415623
N-[[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide
CID 131941647
7-fluoro-4-[3-(2-methylphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one
CID 166364007
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one
CID 119435559
ethyl (3S)-3-(4-fluorophenyl)-3-[1-(2-oxo-1H-quinoline-4-carbonyl)piperidin-4-yl]propanoate
CID 37039719
4-(2,3-dimethylthiomorpholine-4-carbonyl)-7-fluoro-1H-quinolin-2-one
CID 71930254

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)pyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-fluoro-2-[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)pyrrolidin-3-yl]acetic acid (CID 154868364) is 2-fluoro-2-[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)pyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-fluoro-2-[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)pyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-fluoro-2-[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)pyrrolidin-3-yl]acetic acid is O=C(O)C(F)C1CCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc23)C1.
What is the InChIKey of 2-fluoro-2-[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)pyrrolidin-3-yl]acetic acid?
The InChIKey is BPEYLMVQGIBRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O4/c17-9-1-2-10-11(6-13(21)19-12(10)5-9)15(22)20-4-3-8(7-20)14(18)16(23)24/h1-2,5-6,8,14H,3-4,7H2,(H,19,21)(H,23,24).
What are the key properties of 2-fluoro-2-[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)pyrrolidin-3-yl]acetic acid?
2-fluoro-2-[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)pyrrolidin-3-yl]acetic acid has a molecular weight of 336.29 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)pyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 154868364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).