N-cyclopropyl-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C13H13FN2O2 — CID 18136489

IUPACN-cyclopropyl-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)NC2CC2)c2ccc(F)cc2N1
InChIInChI=1S/C13H13FN2O2/c14-7-1-4-9-10(13(18)15-8-2-3-8)6-12(17)16-11(9)5-7/h1,4-5,8,10H,2-3,6H2,(H,15,18)(H,16,17)
InChIKeyDPSAMVFNXZZKCU-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.53
Rot. Bonds2

About N-cyclopropyl-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

N-cyclopropyl-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 18136489) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is N-cyclopropyl-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID18136489
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC NameN-cyclopropyl-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)NC2CC2)c2ccc(F)cc2N1
InChIInChI=1S/C13H13FN2O2/c14-7-1-4-9-10(13(18)15-8-2-3-8)6-12(17)16-11(9)5-7/h1,4-5,8,10H,2-3,6H2,(H,15,18)(H,16,17)
InChIKeyDPSAMVFNXZZKCU-UHFFFAOYSA-N
XLogP1.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-N-(4-hydroxycyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 110883093
(4R)-7-fluoro-N-(4-methylcyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51484758
N-(4-aminocyclohexyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119475717
7-fluoro-2-oxo-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119450828
N-[2-(cyclopropylamino)-2-oxoethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18163943
N-(2,3-dihydro-1H-inden-1-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18143184
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 16613524
N-(1-amino-2-methylpropan-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119522411
1-[[(4S)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 97311297
7-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 110888737
7-fluoro-N-(3-methylbutyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18136289
4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-4-methylpentanoic acid
CID 119203639

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of N-cyclopropyl-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 18136489) is N-cyclopropyl-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for N-cyclopropyl-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is O=C1CC(C(=O)NC2CC2)c2ccc(F)cc2N1.
What is the InChIKey of N-cyclopropyl-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is DPSAMVFNXZZKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c14-7-1-4-9-10(13(18)15-8-2-3-8)6-12(17)16-11(9)5-7/h1,4-5,8,10H,2-3,6H2,(H,15,18)(H,16,17).
What are the key properties of N-cyclopropyl-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
N-cyclopropyl-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 248.26 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 18136489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).