N-(4,5-dimethoxy-2-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C19H19FN2O4 — CID 46698498

IUPACN-(4,5-dimethoxy-2-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCOc1cc(C)c(NC(=O)C2CC(=O)Nc3cc(F)ccc32)cc1OC
InChIInChI=1S/C19H19FN2O4/c1-10-6-16(25-2)17(26-3)9-14(10)22-19(24)13-8-18(23)21-15-7-11(20)4-5-12(13)15/h4-7,9,13H,8H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyKPCSPPKYWQRKBZ-UHFFFAOYSA-N
MW358.37 g/mol
LogP3.22
Rot. Bonds4

About N-(4,5-dimethoxy-2-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

N-(4,5-dimethoxy-2-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 46698498) has the molecular formula C19H19FN2O4 and a molecular weight of 358.37 g/mol. Its IUPAC name is N-(4,5-dimethoxy-2-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethoxy-2-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID46698498
Molecular FormulaC19H19FN2O4
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC NameN-(4,5-dimethoxy-2-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCOc1cc(C)c(NC(=O)C2CC(=O)Nc3cc(F)ccc32)cc1OC
InChIInChI=1S/C19H19FN2O4/c1-10-6-16(25-2)17(26-3)9-14(10)22-19(24)13-8-18(23)21-15-7-11(20)4-5-12(13)15/h4-7,9,13H,8H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyKPCSPPKYWQRKBZ-UHFFFAOYSA-N
XLogP3.22
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4,5-dimethoxy-2-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 46698498) is N-(4,5-dimethoxy-2-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-(4,5-dimethoxy-2-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for N-(4,5-dimethoxy-2-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is COc1cc(C)c(NC(=O)C2CC(=O)Nc3cc(F)ccc32)cc1OC.
What is the InChIKey of N-(4,5-dimethoxy-2-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is KPCSPPKYWQRKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4/c1-10-6-16(25-2)17(26-3)9-14(10)22-19(24)13-8-18(23)21-15-7-11(20)4-5-12(13)15/h4-7,9,13H,8H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-(4,5-dimethoxy-2-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
N-(4,5-dimethoxy-2-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 358.37 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethoxy-2-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 46698498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).