2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]cyclooctane-1-carboxylic acid

C19H23FN2O4 — CID 120532947

IUPAC2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]cyclooctane-1-carboxylic acid
SMILESO=C1CCc2cc(C(=O)NC3CCCCCCC3C(=O)O)c(F)cc2N1
InChIInChI=1S/C19H23FN2O4/c20-14-10-16-11(7-8-17(23)21-16)9-13(14)18(24)22-15-6-4-2-1-3-5-12(15)19(25)26/h9-10,12,15H,1-8H2,(H,21,23)(H,22,24)(H,25,26)
InChIKeyXIGOPWSZNUIGFF-UHFFFAOYSA-N
MW362.40 g/mol
LogP2.86
Rot. Bonds3

About 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]cyclooctane-1-carboxylic acid

2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]cyclooctane-1-carboxylic acid (PubChem CID 120532947) has the molecular formula C19H23FN2O4 and a molecular weight of 362.40 g/mol. Its IUPAC name is 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]cyclooctane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]cyclooctane-1-carboxylic acid
PubChem CID120532947
Molecular FormulaC19H23FN2O4
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC Name2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]cyclooctane-1-carboxylic acid
SMILESO=C1CCc2cc(C(=O)NC3CCCCCCC3C(=O)O)c(F)cc2N1
InChIInChI=1S/C19H23FN2O4/c20-14-10-16-11(7-8-17(23)21-16)9-13(14)18(24)22-15-6-4-2-1-3-5-12(15)19(25)26/h9-10,12,15H,1-8H2,(H,21,23)(H,22,24)(H,25,26)
InChIKeyXIGOPWSZNUIGFF-UHFFFAOYSA-N
XLogP2.86
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]cyclooctane-1-carboxylic acid with MolForge

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Related Compounds

6-(cyclopentanecarbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457549
7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid
CID 43453281
(3R)-1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperidine-3-carboxylic acid
CID 99718262
7-fluoro-N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 167970882
(2S)-2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-2-[(3R)-oxan-3-yl]acetic acid
CID 129467652
(2S)-2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-2-[(3S)-oxan-3-yl]acetic acid
CID 129467651
1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122113130
2-[(2,5-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64813271
2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 102710749
2-[(5-acetamido-2-fluorobenzoyl)amino]cyclooctane-1-carboxylic acid
CID 120532977
4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]pentanoic acid
CID 120534807
6-(2,2-dimethylpropanoyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457528

Frequently Asked Questions

What is the IUPAC name of 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]cyclooctane-1-carboxylic acid?
The IUPAC name of 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]cyclooctane-1-carboxylic acid (CID 120532947) is 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]cyclooctane-1-carboxylic acid.
What is the SMILES notation for 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]cyclooctane-1-carboxylic acid?
The canonical SMILES for 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]cyclooctane-1-carboxylic acid is O=C1CCc2cc(C(=O)NC3CCCCCCC3C(=O)O)c(F)cc2N1.
What is the InChIKey of 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]cyclooctane-1-carboxylic acid?
The InChIKey is XIGOPWSZNUIGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4/c20-14-10-16-11(7-8-17(23)21-16)9-13(14)18(24)22-15-6-4-2-1-3-5-12(15)19(25)26/h9-10,12,15H,1-8H2,(H,21,23)(H,22,24)(H,25,26).
What are the key properties of 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]cyclooctane-1-carboxylic acid?
2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]cyclooctane-1-carboxylic acid has a molecular weight of 362.40 g/mol, XLogP of 2.86, 3 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-3,4-dihydro-1H-quinoline-6-carbonyl)amino]cyclooctane-1-carboxylic acid is sourced from PubChem (CID 120532947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).