N-benzyl-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide

C25H21ClN2O — CID 19647542

IUPACN-benzyl-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide
SMILESCc1cc(C)c2nc(-c3ccc(Cl)cc3)cc(C(=O)NCc3ccccc3)c2c1
InChIInChI=1S/C25H21ClN2O/c1-16-12-17(2)24-21(13-16)22(25(29)27-15-18-6-4-3-5-7-18)14-23(28-24)19-8-10-20(26)11-9-19/h3-14H,15H2,1-2H3,(H,27,29)
InChIKeyNNAOLZXIBAQKES-UHFFFAOYSA-N
MW400.91 g/mol
LogP6.10
Rot. Bonds4

About N-benzyl-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide

N-benzyl-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide (PubChem CID 19647542) has the molecular formula C25H21ClN2O and a molecular weight of 400.91 g/mol. Its IUPAC name is N-benzyl-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide
PubChem CID19647542
Molecular FormulaC25H21ClN2O
Molecular Weight400.91 g/mol
Exact Mass400.13
IUPAC NameN-benzyl-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide
SMILESCc1cc(C)c2nc(-c3ccc(Cl)cc3)cc(C(=O)NCc3ccccc3)c2c1
InChIInChI=1S/C25H21ClN2O/c1-16-12-17(2)24-21(13-16)22(25(29)27-15-18-6-4-3-5-7-18)14-23(28-24)19-8-10-20(26)11-9-19/h3-14H,15H2,1-2H3,(H,27,29)
InChIKeyNNAOLZXIBAQKES-UHFFFAOYSA-N
XLogP6.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.91
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-8-methyl-2-phenylquinoline-4-carboxamide
CID 3639002
2-(4-chlorophenyl)-6,8-dimethyl-N-(4-phenoxyphenyl)quinoline-4-carboxamide
CID 9497835
N-(2,5-dichlorophenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide
CID 19647463
N-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 5026122
6-chloro-N-[(4-chlorophenyl)methyl]-2-phenylquinoline-4-carboxamide
CID 4632644
(2-chlorophenyl) 2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648166
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230
N-(3-chloro-2-methylphenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide
CID 19647473
N-(2,6-dimethylphenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide
CID 19647461
N-[(4-chlorophenyl)methyl]-2-(3,5-dimethylanilino)quinoline-4-carboxamide
CID 20854553
S-(4-methylphenyl) 2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carbothioate
CID 19648178
2-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide
CID 4162780

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide?
The IUPAC name of N-benzyl-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide (CID 19647542) is N-benzyl-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide.
What is the SMILES notation for N-benzyl-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide?
The canonical SMILES for N-benzyl-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide is Cc1cc(C)c2nc(-c3ccc(Cl)cc3)cc(C(=O)NCc3ccccc3)c2c1.
What is the InChIKey of N-benzyl-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide?
The InChIKey is NNAOLZXIBAQKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O/c1-16-12-17(2)24-21(13-16)22(25(29)27-15-18-6-4-3-5-7-18)14-23(28-24)19-8-10-20(26)11-9-19/h3-14H,15H2,1-2H3,(H,27,29).
What are the key properties of N-benzyl-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide?
N-benzyl-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide has a molecular weight of 400.91 g/mol, XLogP of 6.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide is sourced from PubChem (CID 19647542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).