N-(2-chloro-4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide

C26H23ClN2O4 — CID 2347439

IUPACN-(2-chloro-4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1cc(-c2cc(C(=O)Nc3ccc(C)cc3Cl)c3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C26H23ClN2O4/c1-15-9-10-21(19(27)11-15)29-26(30)18-14-22(28-20-8-6-5-7-17(18)20)16-12-23(31-2)25(33-4)24(13-16)32-3/h5-14H,1-4H3,(H,29,30)
InChIKeySNAVSGXWQUDYIA-UHFFFAOYSA-N
MW462.93 g/mol
LogP6.14
Rot. Bonds6

About N-(2-chloro-4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide

N-(2-chloro-4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide (PubChem CID 2347439) has the molecular formula C26H23ClN2O4 and a molecular weight of 462.93 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
PubChem CID2347439
Molecular FormulaC26H23ClN2O4
Molecular Weight462.93 g/mol
Exact Mass462.13
IUPAC NameN-(2-chloro-4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1cc(-c2cc(C(=O)Nc3ccc(C)cc3Cl)c3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C26H23ClN2O4/c1-15-9-10-21(19(27)11-15)29-26(30)18-14-22(28-20-8-6-5-7-17(18)20)16-12-23(31-2)25(33-4)24(13-16)32-3/h5-14H,1-4H3,(H,29,30)
InChIKeySNAVSGXWQUDYIA-UHFFFAOYSA-N
XLogP6.14
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.93
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-chloro-4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)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

Related Compounds

N-(2-methylquinolin-4-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 3900592
N-(2-bromophenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 42993277
N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 1328482
N-[2-methyl-3-(methylcarbamoyl)phenyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 46461794
dimethyl 2-[[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]amino]benzene-1,4-dicarboxylate
CID 2089041
N-(5-chloro-2-pyridinyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 39753706
N-(4,5-dimethoxy-2-methylphenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 7923987
N-(5-methyl-1,2-oxazol-3-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 2329897
N-propan-2-yl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 29198652
N-(4-acetamido-3-chlorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 25470751
N-(5-acetamido-2-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 43052490
N-[5-(ethylcarbamoyl)-2-methylphenyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 55782729

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide (CID 2347439) is N-(2-chloro-4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide is COc1cc(-c2cc(C(=O)Nc3ccc(C)cc3Cl)c3ccccc3n2)cc(OC)c1OC.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is SNAVSGXWQUDYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN2O4/c1-15-9-10-21(19(27)11-15)29-26(30)18-14-22(28-20-8-6-5-7-17(18)20)16-12-23(31-2)25(33-4)24(13-16)32-3/h5-14H,1-4H3,(H,29,30).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
N-(2-chloro-4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide has a molecular weight of 462.93 g/mol, XLogP of 6.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 2347439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).