N-(3-chloro-4-methylphenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide

C24H18Cl2N2O — CID 3279592

IUPACN-(3-chloro-4-methylphenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide
SMILESCc1ccc(NC(=O)c2c(C)c(-c3ccc(Cl)cc3)nc3ccccc23)cc1Cl
InChIInChI=1S/C24H18Cl2N2O/c1-14-7-12-18(13-20(14)26)27-24(29)22-15(2)23(16-8-10-17(25)11-9-16)28-21-6-4-3-5-19(21)22/h3-13H,1-2H3,(H,27,29)
InChIKeyFHPMBQMWFXSLMF-UHFFFAOYSA-N
MW421.33 g/mol
LogP7.08
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide

N-(3-chloro-4-methylphenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide (PubChem CID 3279592) has the molecular formula C24H18Cl2N2O and a molecular weight of 421.33 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide
PubChem CID3279592
Molecular FormulaC24H18Cl2N2O
Molecular Weight421.33 g/mol
Exact Mass420.08
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide
SMILESCc1ccc(NC(=O)c2c(C)c(-c3ccc(Cl)cc3)nc3ccccc23)cc1Cl
InChIInChI=1S/C24H18Cl2N2O/c1-14-7-12-18(13-20(14)26)27-24(29)22-15(2)23(16-8-10-17(25)11-9-16)28-21-6-4-3-5-19(21)22/h3-13H,1-2H3,(H,27,29)
InChIKeyFHPMBQMWFXSLMF-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-(4-chloro-3-nitrophenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide
CID 3258904
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]ethyl]-3-methylquinoline-4-carboxamide
CID 4160455
3-methyl-N-[3-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]phenyl]-2-phenylquinoline-4-carboxamide
CID 3540473
N-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide
CID 4598945
3-methyl-2-(4-methylphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide
CID 4642101
4-[[3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl]amino]benzoic acid
CID 3395284
2-(4-methoxyphenyl)-3-methyl-N-naphthalen-2-ylquinoline-4-carboxamide
CID 4115326
2-(4-chlorophenyl)-N-[4-[4-[[2-(4-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]-3-methylquinoline-4-carboxamide
CID 3533143
N-(4-acetylphenyl)-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 1312279
2-(2,4-dichlorophenyl)-N-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 2259444
2-(4-chlorophenyl)-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 5142369
2-(4-chlorophenyl)-3-methyl-N-morpholin-4-ylquinoline-4-carboxamide
CID 4638984

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide (CID 3279592) is N-(3-chloro-4-methylphenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide is Cc1ccc(NC(=O)c2c(C)c(-c3ccc(Cl)cc3)nc3ccccc23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide?
The InChIKey is FHPMBQMWFXSLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N2O/c1-14-7-12-18(13-20(14)26)27-24(29)22-15(2)23(16-8-10-17(25)11-9-16)28-21-6-4-3-5-19(21)22/h3-13H,1-2H3,(H,27,29).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide?
N-(3-chloro-4-methylphenyl)-2-(4-chlorophenyl)-3-methylquinoline-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-(3-chloro-4-methylphenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide is sourced from PubChem (CID 3279592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).