N-(3-chloro-2-methylphenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide

C25H21ClN2O — CID 19647473

IUPACN-(3-chloro-2-methylphenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide
SMILESCc1cc(C)c2nc(-c3ccccc3)cc(C(=O)Nc3cccc(Cl)c3C)c2c1
InChIInChI=1S/C25H21ClN2O/c1-15-12-16(2)24-19(13-15)20(14-23(27-24)18-8-5-4-6-9-18)25(29)28-22-11-7-10-21(26)17(22)3/h4-14H,1-3H3,(H,28,29)
InChIKeyGDAYSLDLNIQCQV-UHFFFAOYSA-N
MW400.91 g/mol
LogP6.73
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide

N-(3-chloro-2-methylphenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide (PubChem CID 19647473) has the molecular formula C25H21ClN2O and a molecular weight of 400.91 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide
PubChem CID19647473
Molecular FormulaC25H21ClN2O
Molecular Weight400.91 g/mol
Exact Mass400.13
IUPAC NameN-(3-chloro-2-methylphenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide
SMILESCc1cc(C)c2nc(-c3ccccc3)cc(C(=O)Nc3cccc(Cl)c3C)c2c1
InChIInChI=1S/C25H21ClN2O/c1-15-12-16(2)24-19(13-15)20(14-23(27-24)18-8-5-4-6-9-18)25(29)28-22-11-7-10-21(26)17(22)3/h4-14H,1-3H3,(H,28,29)
InChIKeyGDAYSLDLNIQCQV-UHFFFAOYSA-N
XLogP6.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.91
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 5026122
N-(2,5-dichlorophenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide
CID 19647463
N-(2,6-dimethylphenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide
CID 19647461
7-chloro-N-(2,3-dimethylphenyl)-8-methyl-2-phenylquinoline-4-carboxamide
CID 3769705
N-(3-chloro-2-methylphenyl)-2-(3-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19647989
6-bromo-N-(4-bromo-2,3-dimethylphenyl)-8-methyl-2-phenylquinoline-4-carboxamide
CID 4595679
6,8-dimethyl-2-phenylquinoline-4-carboxylate
CID 7048477
2-(4-chlorophenyl)-6,8-dimethyl-N-(4-phenoxyphenyl)quinoline-4-carboxamide
CID 9497835
N-(3,5-dimethylphenyl)-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 17260240
N-[2-chloro-5-(trifluoromethyl)phenyl]-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 19647664
N-(3-chloro-2-methylphenyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512920
N-(5-chloro-2-methoxyphenyl)-2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647766

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide (CID 19647473) is N-(3-chloro-2-methylphenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide is Cc1cc(C)c2nc(-c3ccccc3)cc(C(=O)Nc3cccc(Cl)c3C)c2c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide?
The InChIKey is GDAYSLDLNIQCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O/c1-15-12-16(2)24-19(13-15)20(14-23(27-24)18-8-5-4-6-9-18)25(29)28-22-11-7-10-21(26)17(22)3/h4-14H,1-3H3,(H,28,29).
What are the key properties of N-(3-chloro-2-methylphenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide?
N-(3-chloro-2-methylphenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide has a molecular weight of 400.91 g/mol, XLogP of 6.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 19647473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).