7-fluoro-N-(3-methylbutyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C15H19FN2O2 — CID 18136289

IUPAC7-fluoro-N-(3-methylbutyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCC(C)CCNC(=O)C1CC(=O)Nc2cc(F)ccc21
InChIInChI=1S/C15H19FN2O2/c1-9(2)5-6-17-15(20)12-8-14(19)18-13-7-10(16)3-4-11(12)13/h3-4,7,9,12H,5-6,8H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyNRXGCTVMHQNFMQ-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.41
Rot. Bonds4

About 7-fluoro-N-(3-methylbutyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

7-fluoro-N-(3-methylbutyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 18136289) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 7-fluoro-N-(3-methylbutyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-(3-methylbutyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID18136289
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name7-fluoro-N-(3-methylbutyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCC(C)CCNC(=O)C1CC(=O)Nc2cc(F)ccc21
InChIInChI=1S/C15H19FN2O2/c1-9(2)5-6-17-15(20)12-8-14(19)18-13-7-10(16)3-4-11(12)13/h3-4,7,9,12H,5-6,8H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyNRXGCTVMHQNFMQ-UHFFFAOYSA-N
XLogP2.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]-4-methylpentanoic acid
CID 119252685
N-[(2R)-2-(ethylamino)propyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 120650315
N-[(2R)-2-(ethylamino)propyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 120650314
7-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 110888737
(2S)-2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-4-methylpentanoic acid
CID 119360928
(4S)-7-fluoro-2-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 94023245
(4S)-7-fluoro-N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 94158194
N-[4-(4-ethylpiperazin-1-yl)butyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 86985115
7-fluoro-N-[(2-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18136813
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 167907158
(4R)-7-fluoro-N-[(2R)-2-morpholin-4-ylpropyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 37252141
7-fluoro-N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46535101

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-(3-methylbutyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of 7-fluoro-N-(3-methylbutyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 18136289) is 7-fluoro-N-(3-methylbutyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-N-(3-methylbutyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-N-(3-methylbutyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is CC(C)CCNC(=O)C1CC(=O)Nc2cc(F)ccc21.
What is the InChIKey of 7-fluoro-N-(3-methylbutyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is NRXGCTVMHQNFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-9(2)5-6-17-15(20)12-8-14(19)18-13-7-10(16)3-4-11(12)13/h3-4,7,9,12H,5-6,8H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 7-fluoro-N-(3-methylbutyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
7-fluoro-N-(3-methylbutyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 278.33 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-(3-methylbutyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 18136289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).