N-(3,5-dimethylphenyl)-3,6,8-trimethyl-2-phenylquinoline-4-carboxamide

C27H26N2O — CID 19647901

IUPACN-(3,5-dimethylphenyl)-3,6,8-trimethyl-2-phenylquinoline-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2c(C)c(-c3ccccc3)nc3c(C)cc(C)cc23)c1
InChIInChI=1S/C27H26N2O/c1-16-11-17(2)14-22(13-16)28-27(30)24-20(5)26(21-9-7-6-8-10-21)29-25-19(4)12-18(3)15-23(24)25/h6-15H,1-5H3,(H,28,30)
InChIKeyPYSWUZCAWFXMKT-UHFFFAOYSA-N
MW394.52 g/mol
LogP6.70
Rot. Bonds3

About N-(3,5-dimethylphenyl)-3,6,8-trimethyl-2-phenylquinoline-4-carboxamide

N-(3,5-dimethylphenyl)-3,6,8-trimethyl-2-phenylquinoline-4-carboxamide (PubChem CID 19647901) has the molecular formula C27H26N2O and a molecular weight of 394.52 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-3,6,8-trimethyl-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-3,6,8-trimethyl-2-phenylquinoline-4-carboxamide
PubChem CID19647901
Molecular FormulaC27H26N2O
Molecular Weight394.52 g/mol
Exact Mass394.20
IUPAC NameN-(3,5-dimethylphenyl)-3,6,8-trimethyl-2-phenylquinoline-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2c(C)c(-c3ccccc3)nc3c(C)cc(C)cc23)c1
InChIInChI=1S/C27H26N2O/c1-16-11-17(2)14-22(13-16)28-27(30)24-20(5)26(21-9-7-6-8-10-21)29-25-19(4)12-18(3)15-23(24)25/h6-15H,1-5H3,(H,28,30)
InChIKeyPYSWUZCAWFXMKT-UHFFFAOYSA-N
XLogP6.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3,5-dimethylphenyl)-3,6,8-trimethyl-2-phenylquinoline-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-(3,5-dimethylphenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19648086
N-(3-chlorophenyl)-2-(4-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19647935
N-(4-bromophenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19648072
N-(4-ethoxyphenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide
CID 19648017
N-(4-chlorophenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide
CID 19648013
N-(2,4-dichlorophenyl)-3,6,8-trimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 19647837
N-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19648060
2-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 17261456
ethyl 4-[[3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carbonyl]amino]benzoate
CID 19648011
N-(5-chloro-2-methylphenyl)-2-(3-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19647990
N-(3-chloro-2-methylphenyl)-2-(3-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19647989
2-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19647942

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-3,6,8-trimethyl-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-3,6,8-trimethyl-2-phenylquinoline-4-carboxamide (CID 19647901) is N-(3,5-dimethylphenyl)-3,6,8-trimethyl-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-3,6,8-trimethyl-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-3,6,8-trimethyl-2-phenylquinoline-4-carboxamide is Cc1cc(C)cc(NC(=O)c2c(C)c(-c3ccccc3)nc3c(C)cc(C)cc23)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-3,6,8-trimethyl-2-phenylquinoline-4-carboxamide?
The InChIKey is PYSWUZCAWFXMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O/c1-16-11-17(2)14-22(13-16)28-27(30)24-20(5)26(21-9-7-6-8-10-21)29-25-19(4)12-18(3)15-23(24)25/h6-15H,1-5H3,(H,28,30).
What are the key properties of N-(3,5-dimethylphenyl)-3,6,8-trimethyl-2-phenylquinoline-4-carboxamide?
N-(3,5-dimethylphenyl)-3,6,8-trimethyl-2-phenylquinoline-4-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 6.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-3,6,8-trimethyl-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 19647901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).