N-(2,5-dichlorophenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide

C24H18Cl2N2O — CID 19647463

IUPACN-(2,5-dichlorophenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide
SMILESCc1cc(C)c2nc(-c3ccccc3)cc(C(=O)Nc3cc(Cl)ccc3Cl)c2c1
InChIInChI=1S/C24H18Cl2N2O/c1-14-10-15(2)23-18(11-14)19(13-21(27-23)16-6-4-3-5-7-16)24(29)28-22-12-17(25)8-9-20(22)26/h3-13H,1-2H3,(H,28,29)
InChIKeyOAPXSEODQQHUQN-UHFFFAOYSA-N
MW421.33 g/mol
LogP7.08
Rot. Bonds3

About N-(2,5-dichlorophenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide

N-(2,5-dichlorophenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide (PubChem CID 19647463) has the molecular formula C24H18Cl2N2O and a molecular weight of 421.33 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide
PubChem CID19647463
Molecular FormulaC24H18Cl2N2O
Molecular Weight421.33 g/mol
Exact Mass420.08
IUPAC NameN-(2,5-dichlorophenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide
SMILESCc1cc(C)c2nc(-c3ccccc3)cc(C(=O)Nc3cc(Cl)ccc3Cl)c2c1
InChIInChI=1S/C24H18Cl2N2O/c1-14-10-15(2)23-18(11-14)19(13-21(27-23)16-6-4-3-5-7-16)24(29)28-22-12-17(25)8-9-20(22)26/h3-13H,1-2H3,(H,28,29)
InChIKeyOAPXSEODQQHUQN-UHFFFAOYSA-N
XLogP7.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.33
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-2-methylphenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide
CID 19647473
N-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 5026122
N-(2,6-dimethylphenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide
CID 19647461
N-[2-chloro-5-(trifluoromethyl)phenyl]-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 19647664
N-(5-chloro-2-methoxyphenyl)-2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647766
2-(4-chlorophenyl)-6,8-dimethyl-N-(4-phenoxyphenyl)quinoline-4-carboxamide
CID 9497835
2-(4-bromophenyl)-N-(5-chloro-2-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 17261439
N-benzyl-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647542
N-(3,5-dimethylphenyl)-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 17260240
N-(4-chloro-2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 2923025
6,8-dimethyl-2-phenylquinoline-4-carboxylate
CID 7048477
7-chloro-N-(2,3-dimethylphenyl)-8-methyl-2-phenylquinoline-4-carboxamide
CID 3769705

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide (CID 19647463) is N-(2,5-dichlorophenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide is Cc1cc(C)c2nc(-c3ccccc3)cc(C(=O)Nc3cc(Cl)ccc3Cl)c2c1.
What is the InChIKey of N-(2,5-dichlorophenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide?
The InChIKey is OAPXSEODQQHUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N2O/c1-14-10-15(2)23-18(11-14)19(13-21(27-23)16-6-4-3-5-7-16)24(29)28-22-12-17(25)8-9-20(22)26/h3-13H,1-2H3,(H,28,29).
What are the key properties of N-(2,5-dichlorophenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide?
N-(2,5-dichlorophenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide has a molecular weight of 421.33 g/mol, XLogP of 7.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 19647463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).