(3S)-1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylic acid

C16H15FN2O4 — CID 119174191

IUPAC(3S)-1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc23)C1
InChIInChI=1S/C16H15FN2O4/c17-10-3-4-11-12(7-14(20)18-13(11)6-10)15(21)19-5-1-2-9(8-19)16(22)23/h3-4,6-7,9H,1-2,5,8H2,(H,18,20)(H,22,23)/t9-/m0/s1
InChIKeyJDJVLJTZHNGPKG-VIFPVBQESA-N
MW318.30 g/mol
LogP1.60
Rot. Bonds2

About (3S)-1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylic acid

(3S)-1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylic acid (PubChem CID 119174191) has the molecular formula C16H15FN2O4 and a molecular weight of 318.30 g/mol. Its IUPAC name is (3S)-1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylic acid
PubChem CID119174191
Molecular FormulaC16H15FN2O4
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name(3S)-1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc23)C1
InChIInChI=1S/C16H15FN2O4/c17-10-3-4-11-12(7-14(20)18-13(11)6-10)15(21)19-5-1-2-9(8-19)16(22)23/h3-4,6-7,9H,1-2,5,8H2,(H,18,20)(H,22,23)/t9-/m0/s1
InChIKeyJDJVLJTZHNGPKG-VIFPVBQESA-N
XLogP1.60
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-fluoro-2-[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)pyrrolidin-3-yl]acetic acid
CID 154868364
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
(3S)-1-(6-fluoro-1H-indole-3-carbonyl)-N-methylpiperidine-3-carboxamide
CID 97260094
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-[2-(1-aminoethyl)piperidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one
CID 119435559
4-(3-hydroxypiperidine-1-carbonyl)-1H-quinolin-2-one
CID 43390694
cis-(1S,3R)-3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120675306
ethyl 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylate
CID 42910473

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylic acid (CID 119174191) is (3S)-1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylic acid is O=C(O)[C@H]1CCCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc23)C1.
What is the InChIKey of (3S)-1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is JDJVLJTZHNGPKG-VIFPVBQESA-N. The full InChI is InChI=1S/C16H15FN2O4/c17-10-3-4-11-12(7-14(20)18-13(11)6-10)15(21)19-5-1-2-9(8-19)16(22)23/h3-4,6-7,9H,1-2,5,8H2,(H,18,20)(H,22,23)/t9-/m0/s1.
What are the key properties of (3S)-1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylic acid?
(3S)-1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 318.30 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 119174191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).