8-methoxy-5-methyl-4-oxo-N-[4-(3,4,5-trifluorophenyl)phenyl]-1H-quinoline-2-carboxamide

C24H17F3N2O3 — CID 162540369

IUPAC8-methoxy-5-methyl-4-oxo-N-[4-(3,4,5-trifluorophenyl)phenyl]-1H-quinoline-2-carboxamide
SMILESCOc1ccc(C)c2c(=O)cc(C(=O)Nc3ccc(-c4cc(F)c(F)c(F)c4)cc3)[nH]c12
InChIInChI=1S/C24H17F3N2O3/c1-12-3-8-20(32-2)23-21(12)19(30)11-18(29-23)24(31)28-15-6-4-13(5-7-15)14-9-16(25)22(27)17(26)10-14/h3-11H,1-2H3,(H,28,31)(H,29,30)
InChIKeyAESDMDCNARBSBP-UHFFFAOYSA-N
MW438.41 g/mol
LogP5.18
Rot. Bonds4

About 8-methoxy-5-methyl-4-oxo-N-[4-(3,4,5-trifluorophenyl)phenyl]-1H-quinoline-2-carboxamide

8-methoxy-5-methyl-4-oxo-N-[4-(3,4,5-trifluorophenyl)phenyl]-1H-quinoline-2-carboxamide (PubChem CID 162540369) has the molecular formula C24H17F3N2O3 and a molecular weight of 438.41 g/mol. Its IUPAC name is 8-methoxy-5-methyl-4-oxo-N-[4-(3,4,5-trifluorophenyl)phenyl]-1H-quinoline-2-carboxamide.

Molecular Properties

Compound Name8-methoxy-5-methyl-4-oxo-N-[4-(3,4,5-trifluorophenyl)phenyl]-1H-quinoline-2-carboxamide
PubChem CID162540369
Molecular FormulaC24H17F3N2O3
Molecular Weight438.41 g/mol
Exact Mass438.12
IUPAC Name8-methoxy-5-methyl-4-oxo-N-[4-(3,4,5-trifluorophenyl)phenyl]-1H-quinoline-2-carboxamide
SMILESCOc1ccc(C)c2c(=O)cc(C(=O)Nc3ccc(-c4cc(F)c(F)c(F)c4)cc3)[nH]c12
InChIInChI=1S/C24H17F3N2O3/c1-12-3-8-20(32-2)23-21(12)19(30)11-18(29-23)24(31)28-15-6-4-13(5-7-15)14-9-16(25)22(27)17(26)10-14/h3-11H,1-2H3,(H,28,31)(H,29,30)
InChIKeyAESDMDCNARBSBP-UHFFFAOYSA-N
XLogP5.18
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.41
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 8-methoxy-5-methyl-4-oxo-N-[4-(3,4,5-trifluorophenyl)phenyl]-1H-quinoline-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

8-methoxy-5-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]-1H-quinoline-2-carboxamide
CID 162540354
methyl 5-methoxy-8-methyl-4-oxo-1H-quinoline-2-carboxylate
CID 114252907
N-(4-methoxyphenyl)-5-methyl-8-(4-methylpiperazin-1-yl)-4-oxo-1H-quinoline-2-carboxamide
CID 24742632
8-methoxy-5-methyl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinoline-2-carboxamide
CID 162540358
7-methoxy-N-phenyl-1H-indole-2-carboxamide
CID 110856487
N-(4-acetamidophenyl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
CID 27376477
N-(3-amino-4-methoxyphenyl)-3,4,5-trifluorobenzamide
CID 63186712
N-(3,4-dimethoxyphenyl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
CID 27376438
3-methoxy-6,9-dimethyl-1H-1-benzazepine-2,5-dione
CID 10704674
N-(3-fluoro-4-methoxyphenyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103696395
4,6,7-trimethoxy-N-[4-(propanoylamino)phenyl]-1H-indole-2-carboxamide
CID 55847127
3-methoxy-4-methyl-N-(4-methylphenyl)benzamide
CID 9071746

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-5-methyl-4-oxo-N-[4-(3,4,5-trifluorophenyl)phenyl]-1H-quinoline-2-carboxamide?
The IUPAC name of 8-methoxy-5-methyl-4-oxo-N-[4-(3,4,5-trifluorophenyl)phenyl]-1H-quinoline-2-carboxamide (CID 162540369) is 8-methoxy-5-methyl-4-oxo-N-[4-(3,4,5-trifluorophenyl)phenyl]-1H-quinoline-2-carboxamide.
What is the SMILES notation for 8-methoxy-5-methyl-4-oxo-N-[4-(3,4,5-trifluorophenyl)phenyl]-1H-quinoline-2-carboxamide?
The canonical SMILES for 8-methoxy-5-methyl-4-oxo-N-[4-(3,4,5-trifluorophenyl)phenyl]-1H-quinoline-2-carboxamide is COc1ccc(C)c2c(=O)cc(C(=O)Nc3ccc(-c4cc(F)c(F)c(F)c4)cc3)[nH]c12.
What is the InChIKey of 8-methoxy-5-methyl-4-oxo-N-[4-(3,4,5-trifluorophenyl)phenyl]-1H-quinoline-2-carboxamide?
The InChIKey is AESDMDCNARBSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N2O3/c1-12-3-8-20(32-2)23-21(12)19(30)11-18(29-23)24(31)28-15-6-4-13(5-7-15)14-9-16(25)22(27)17(26)10-14/h3-11H,1-2H3,(H,28,31)(H,29,30).
What are the key properties of 8-methoxy-5-methyl-4-oxo-N-[4-(3,4,5-trifluorophenyl)phenyl]-1H-quinoline-2-carboxamide?
8-methoxy-5-methyl-4-oxo-N-[4-(3,4,5-trifluorophenyl)phenyl]-1H-quinoline-2-carboxamide has a molecular weight of 438.41 g/mol, XLogP of 5.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-5-methyl-4-oxo-N-[4-(3,4,5-trifluorophenyl)phenyl]-1H-quinoline-2-carboxamide is sourced from PubChem (CID 162540369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).