N-(2,4-dichlorophenyl)-3,6,8-trimethyl-2-(4-methylphenyl)quinoline-4-carboxamide

C26H22Cl2N2O — CID 19647837

IUPACN-(2,4-dichlorophenyl)-3,6,8-trimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2nc3c(C)cc(C)cc3c(C(=O)Nc3ccc(Cl)cc3Cl)c2C)cc1
InChIInChI=1S/C26H22Cl2N2O/c1-14-5-7-18(8-6-14)25-17(4)23(20-12-15(2)11-16(3)24(20)30-25)26(31)29-22-10-9-19(27)13-21(22)28/h5-13H,1-4H3,(H,29,31)
InChIKeyREFFXGDILYZPMS-UHFFFAOYSA-N
MW449.38 g/mol
LogP7.69
Rot. Bonds3

About N-(2,4-dichlorophenyl)-3,6,8-trimethyl-2-(4-methylphenyl)quinoline-4-carboxamide

N-(2,4-dichlorophenyl)-3,6,8-trimethyl-2-(4-methylphenyl)quinoline-4-carboxamide (PubChem CID 19647837) has the molecular formula C26H22Cl2N2O and a molecular weight of 449.38 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-3,6,8-trimethyl-2-(4-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-3,6,8-trimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
PubChem CID19647837
Molecular FormulaC26H22Cl2N2O
Molecular Weight449.38 g/mol
Exact Mass448.11
IUPAC NameN-(2,4-dichlorophenyl)-3,6,8-trimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2nc3c(C)cc(C)cc3c(C(=O)Nc3ccc(Cl)cc3Cl)c2C)cc1
InChIInChI=1S/C26H22Cl2N2O/c1-14-5-7-18(8-6-14)25-17(4)23(20-12-15(2)11-16(3)24(20)30-25)26(31)29-22-10-9-19(27)13-21(22)28/h5-13H,1-4H3,(H,29,31)
InChIKeyREFFXGDILYZPMS-UHFFFAOYSA-N
XLogP7.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.38
LogP ≤ 57.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 17261456
2-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19647942
N-(3-chlorophenyl)-2-(4-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19647935
N-(4-bromo-2-ethylphenyl)-2-(4-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19647961
N-(5-chloro-2-methylphenyl)-2-(3-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19647990
N-(3-chloro-2-methylphenyl)-2-(3-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19647989
N-(3,5-dimethylphenyl)-3,6,8-trimethyl-2-phenylquinoline-4-carboxamide
CID 19647901
N-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19648060
N-(3,5-dimethylphenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19648086
N-(4-bromo-2-methylphenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19648097
N-(4-chlorophenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide
CID 19648013
N-(2,5-dimethylphenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide
CID 19648018

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-3,6,8-trimethyl-2-(4-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-3,6,8-trimethyl-2-(4-methylphenyl)quinoline-4-carboxamide (CID 19647837) is N-(2,4-dichlorophenyl)-3,6,8-trimethyl-2-(4-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-3,6,8-trimethyl-2-(4-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-3,6,8-trimethyl-2-(4-methylphenyl)quinoline-4-carboxamide is Cc1ccc(-c2nc3c(C)cc(C)cc3c(C(=O)Nc3ccc(Cl)cc3Cl)c2C)cc1.
What is the InChIKey of N-(2,4-dichlorophenyl)-3,6,8-trimethyl-2-(4-methylphenyl)quinoline-4-carboxamide?
The InChIKey is REFFXGDILYZPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl2N2O/c1-14-5-7-18(8-6-14)25-17(4)23(20-12-15(2)11-16(3)24(20)30-25)26(31)29-22-10-9-19(27)13-21(22)28/h5-13H,1-4H3,(H,29,31).
What are the key properties of N-(2,4-dichlorophenyl)-3,6,8-trimethyl-2-(4-methylphenyl)quinoline-4-carboxamide?
N-(2,4-dichlorophenyl)-3,6,8-trimethyl-2-(4-methylphenyl)quinoline-4-carboxamide has a molecular weight of 449.38 g/mol, XLogP of 7.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-3,6,8-trimethyl-2-(4-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 19647837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).