7-fluoro-N-[2-methyl-4-(methylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C19H18FN3O3 — CID 131950953

IUPAC7-fluoro-N-[2-methyl-4-(methylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)C2CC(=O)Nc3cc(F)ccc32)c(C)c1
InChIInChI=1S/C19H18FN3O3/c1-10-7-11(18(25)21-2)3-6-15(10)23-19(26)14-9-17(24)22-16-8-12(20)4-5-13(14)16/h3-8,14H,9H2,1-2H3,(H,21,25)(H,22,24)(H,23,26)
InChIKeyCPAIZUXHIYRRPL-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.56
Rot. Bonds3

About 7-fluoro-N-[2-methyl-4-(methylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

7-fluoro-N-[2-methyl-4-(methylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 131950953) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is 7-fluoro-N-[2-methyl-4-(methylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[2-methyl-4-(methylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID131950953
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name7-fluoro-N-[2-methyl-4-(methylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)C2CC(=O)Nc3cc(F)ccc32)c(C)c1
InChIInChI=1S/C19H18FN3O3/c1-10-7-11(18(25)21-2)3-6-15(10)23-19(26)14-9-17(24)22-16-8-12(20)4-5-13(14)16/h3-8,14H,9H2,1-2H3,(H,21,25)(H,22,24)(H,23,26)
InChIKeyCPAIZUXHIYRRPL-UHFFFAOYSA-N
XLogP2.56
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 7-fluoro-N-[2-methyl-4-(methylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide with MolForge

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Related Compounds

N-(4,5-dimethoxy-2-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46698498
methyl 4-fluoro-3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]benzoate
CID 46535404
7-fluoro-N-(2-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46517479
N-(2-ethoxy-4-hydroxyphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 154862858
7-fluoro-N-[4-fluoro-2-(1-methylpyrazol-4-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 146127538
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46436373
(4S)-7-fluoro-N-(4-methyl-2-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 41492301
N-(2,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 42930651
N-(2,2-dimethyl-4-oxo-3H-chromen-8-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 154850187
7-fluoro-N-[2-(2-methylpropylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 86920168
N-[2-(2-amino-2-oxoethyl)phenyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 86929203
N-cyclopropyl-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18136489

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[2-methyl-4-(methylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of 7-fluoro-N-[2-methyl-4-(methylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 131950953) is 7-fluoro-N-[2-methyl-4-(methylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-N-[2-methyl-4-(methylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-N-[2-methyl-4-(methylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is CNC(=O)c1ccc(NC(=O)C2CC(=O)Nc3cc(F)ccc32)c(C)c1.
What is the InChIKey of 7-fluoro-N-[2-methyl-4-(methylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is CPAIZUXHIYRRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-10-7-11(18(25)21-2)3-6-15(10)23-19(26)14-9-17(24)22-16-8-12(20)4-5-13(14)16/h3-8,14H,9H2,1-2H3,(H,21,25)(H,22,24)(H,23,26).
What are the key properties of 7-fluoro-N-[2-methyl-4-(methylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
7-fluoro-N-[2-methyl-4-(methylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 355.37 g/mol, XLogP of 2.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[2-methyl-4-(methylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 131950953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).