N-(3-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)-7-chloro-8-methylquinoline-4-carboxamide

C26H20ClN3O4 — CID 2965496

IUPACN-(3-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)-7-chloro-8-methylquinoline-4-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3c(C)c(Cl)ccc23)c1
InChIInChI=1S/C26H20ClN3O4/c1-14-21(27)8-7-19-20(26(32)29-18-5-3-4-17(11-18)28-15(2)31)12-22(30-25(14)19)16-6-9-23-24(10-16)34-13-33-23/h3-12H,13H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyILJHGHLQIIGUCD-UHFFFAOYSA-N
MW473.92 g/mol
LogP5.80
Rot. Bonds4

About N-(3-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)-7-chloro-8-methylquinoline-4-carboxamide

N-(3-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)-7-chloro-8-methylquinoline-4-carboxamide (PubChem CID 2965496) has the molecular formula C26H20ClN3O4 and a molecular weight of 473.92 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)-7-chloro-8-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)-7-chloro-8-methylquinoline-4-carboxamide
PubChem CID2965496
Molecular FormulaC26H20ClN3O4
Molecular Weight473.92 g/mol
Exact Mass473.11
IUPAC NameN-(3-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)-7-chloro-8-methylquinoline-4-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3c(C)c(Cl)ccc23)c1
InChIInChI=1S/C26H20ClN3O4/c1-14-21(27)8-7-19-20(26(32)29-18-5-3-4-17(11-18)28-15(2)31)12-22(30-25(14)19)16-6-9-23-24(10-16)34-13-33-23/h3-12H,13H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyILJHGHLQIIGUCD-UHFFFAOYSA-N
XLogP5.80
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.92
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)-7-chloro-8-methylquinoline-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

Related Compounds

7-chloro-N-(3,4-dichlorophenyl)-8-methyl-2-phenylquinoline-4-carboxamide
CID 17368895
7-chloro-8-methyl-N-phenyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 2220481
2-(1,3-benzodioxol-5-yl)-N-(3-ethylphenyl)quinoline-4-carboxamide
CID 3540981
2-(1,3-benzodioxol-5-yl)-N-(3,5-dichlorophenyl)quinoline-4-carboxamide
CID 5212111
7-chloro-N-(2,3-dimethylphenyl)-8-methyl-2-phenylquinoline-4-carboxamide
CID 3769705
N-(2-acetylphenyl)-2-(1,3-benzodioxol-5-yl)quinoline-4-carboxamide
CID 1261906
8-chloro-N-(3-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 3105380
8-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxylic acid
CID 4603899
2-[(7-chloro-8-methyl-2-phenylquinoline-4-carbonyl)amino]ethyl-dimethylazanium
CID 2220589
2-(4-chlorophenyl)-8-methyl-N-[3-(morpholine-4-carbonyl)phenyl]quinoline-4-carboxamide
CID 17259950
N-(1,3-benzodioxol-5-yl)-3-hydroxy-2-methylbenzamide
CID 82786917
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 17372199

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)-7-chloro-8-methylquinoline-4-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)-7-chloro-8-methylquinoline-4-carboxamide (CID 2965496) is N-(3-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)-7-chloro-8-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)-7-chloro-8-methylquinoline-4-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)-7-chloro-8-methylquinoline-4-carboxamide is CC(=O)Nc1cccc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3c(C)c(Cl)ccc23)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)-7-chloro-8-methylquinoline-4-carboxamide?
The InChIKey is ILJHGHLQIIGUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClN3O4/c1-14-21(27)8-7-19-20(26(32)29-18-5-3-4-17(11-18)28-15(2)31)12-22(30-25(14)19)16-6-9-23-24(10-16)34-13-33-23/h3-12H,13H2,1-2H3,(H,28,31)(H,29,32).
What are the key properties of N-(3-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)-7-chloro-8-methylquinoline-4-carboxamide?
N-(3-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)-7-chloro-8-methylquinoline-4-carboxamide has a molecular weight of 473.92 g/mol, XLogP of 5.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)-7-chloro-8-methylquinoline-4-carboxamide is sourced from PubChem (CID 2965496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).