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

C24H18Cl2N2O — CID 4598945

IUPACN-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1c(C)c(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C24H18Cl2N2O/c1-14-19(26)7-5-9-20(14)28-24(29)22-15(2)23(16-10-12-17(25)13-11-16)27-21-8-4-3-6-18(21)22/h3-13H,1-2H3,(H,28,29)
InChIKeyRGSUEWWEUOOOFW-UHFFFAOYSA-N
MW421.33 g/mol
LogP7.08
Rot. Bonds3

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

N-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide (PubChem CID 4598945) has the molecular formula C24H18Cl2N2O and a molecular weight of 421.33 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide
PubChem CID4598945
Molecular FormulaC24H18Cl2N2O
Molecular Weight421.33 g/mol
Exact Mass420.08
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1c(C)c(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C24H18Cl2N2O/c1-14-19(26)7-5-9-20(14)28-24(29)22-15(2)23(16-10-12-17(25)13-11-16)27-21-8-4-3-6-18(21)22/h3-13H,1-2H3,(H,28,29)
InChIKeyRGSUEWWEUOOOFW-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

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-(3-chloro-4-methylphenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide
CID 3279592
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]ethyl]-3-methylquinoline-4-carboxamide
CID 4160455
2-(4-chlorophenyl)-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 5142369
N-(2-chloro-3-pyridinyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 4189374
N-(4-chloro-3-nitrophenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide
CID 3258904
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide
CID 4118726
2-(4-chlorophenyl)-3-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 4052157
2-(2,4-dichlorophenyl)-3-methyl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide
CID 3662094
2-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19647942
2-(4-chlorophenyl)-3-methyl-N-morpholin-4-ylquinoline-4-carboxamide
CID 4638984
2-(2,4-dichlorophenyl)-3-methyl-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 3498763

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide (CID 4598945) is N-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide is Cc1c(Cl)cccc1NC(=O)c1c(C)c(-c2ccc(Cl)cc2)nc2ccccc12.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide?
The InChIKey is RGSUEWWEUOOOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N2O/c1-14-19(26)7-5-9-20(14)28-24(29)22-15(2)23(16-10-12-17(25)13-11-16)27-21-8-4-3-6-18(21)22/h3-13H,1-2H3,(H,28,29).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide?
N-(3-chloro-2-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-2-methylphenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide is sourced from PubChem (CID 4598945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).