N-[2-(3-chlorophenyl)ethyl]-2-(2,4-dichlorophenyl)-3-methylquinoline-4-carboxamide

C25H19Cl3N2O — CID 4651997

IUPACN-[2-(3-chlorophenyl)ethyl]-2-(2,4-dichlorophenyl)-3-methylquinoline-4-carboxamide
SMILESCc1c(-c2ccc(Cl)cc2Cl)nc2ccccc2c1C(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C25H19Cl3N2O/c1-15-23(25(31)29-12-11-16-5-4-6-17(26)13-16)20-7-2-3-8-22(20)30-24(15)19-10-9-18(27)14-21(19)28/h2-10,13-14H,11-12H2,1H3,(H,29,31)
InChIKeyGKXIXDFJUXNFQS-UHFFFAOYSA-N
MW469.80 g/mol
LogP7.14
Rot. Bonds5

About N-[2-(3-chlorophenyl)ethyl]-2-(2,4-dichlorophenyl)-3-methylquinoline-4-carboxamide

N-[2-(3-chlorophenyl)ethyl]-2-(2,4-dichlorophenyl)-3-methylquinoline-4-carboxamide (PubChem CID 4651997) has the molecular formula C25H19Cl3N2O and a molecular weight of 469.80 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-(2,4-dichlorophenyl)-3-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-(2,4-dichlorophenyl)-3-methylquinoline-4-carboxamide
PubChem CID4651997
Molecular FormulaC25H19Cl3N2O
Molecular Weight469.80 g/mol
Exact Mass468.06
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-(2,4-dichlorophenyl)-3-methylquinoline-4-carboxamide
SMILESCc1c(-c2ccc(Cl)cc2Cl)nc2ccccc2c1C(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C25H19Cl3N2O/c1-15-23(25(31)29-12-11-16-5-4-6-17(26)13-16)20-7-2-3-8-22(20)30-24(15)19-10-9-18(27)14-21(19)28/h2-10,13-14H,11-12H2,1H3,(H,29,31)
InChIKeyGKXIXDFJUXNFQS-UHFFFAOYSA-N
XLogP7.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.80
LogP ≤ 57.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenyl)-N-[8-[[2-(2,4-dichlorophenyl)-3-methylquinoline-4-carbonyl]amino]octyl]-3-methylquinoline-4-carboxamide
CID 4245639
2-(2,4-dichlorophenyl)-3-methyl-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide
CID 4112030
2-(2,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)-3-methylquinoline-4-carboxamide
CID 3682044
2-(2,4-dichlorophenyl)-3-methyl-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 3498763
2-(2,4-dichlorophenyl)-N-(2-ethylhexyl)-3-methylquinoline-4-carboxamide
CID 5165996
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]ethyl]-3-methylquinoline-4-carboxamide
CID 4160455
2-(2,4-dichlorophenyl)-N-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 2259444
2-(2,4-dichlorophenyl)-3-methyl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide
CID 3662094
2-(2,4-dichlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 4108554
2-(4-methoxyphenyl)-3-methyl-N-(2-phenylethyl)quinoline-4-carboxamide
CID 5197457
dimethyl 2-[[2-(2,4-dichlorophenyl)-3-methylquinoline-4-carbonyl]amino]benzene-1,4-dicarboxylate
CID 4124559
N-[2-(3-chlorophenyl)ethyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 55368453

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(2,4-dichlorophenyl)-3-methylquinoline-4-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(2,4-dichlorophenyl)-3-methylquinoline-4-carboxamide (CID 4651997) is N-[2-(3-chlorophenyl)ethyl]-2-(2,4-dichlorophenyl)-3-methylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-(2,4-dichlorophenyl)-3-methylquinoline-4-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-(2,4-dichlorophenyl)-3-methylquinoline-4-carboxamide is Cc1c(-c2ccc(Cl)cc2Cl)nc2ccccc2c1C(=O)NCCc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-(2,4-dichlorophenyl)-3-methylquinoline-4-carboxamide?
The InChIKey is GKXIXDFJUXNFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl3N2O/c1-15-23(25(31)29-12-11-16-5-4-6-17(26)13-16)20-7-2-3-8-22(20)30-24(15)19-10-9-18(27)14-21(19)28/h2-10,13-14H,11-12H2,1H3,(H,29,31).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-(2,4-dichlorophenyl)-3-methylquinoline-4-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-2-(2,4-dichlorophenyl)-3-methylquinoline-4-carboxamide has a molecular weight of 469.80 g/mol, XLogP of 7.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-2-(2,4-dichlorophenyl)-3-methylquinoline-4-carboxamide is sourced from PubChem (CID 4651997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).