N-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide

C26H22Cl2N2O2 — CID 19648060

IUPACN-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide
SMILESCOc1ccc(-c2nc3c(C)cc(C)cc3c(C(=O)Nc3ccc(Cl)c(Cl)c3)c2C)cc1
InChIInChI=1S/C26H22Cl2N2O2/c1-14-11-15(2)24-20(12-14)23(26(31)29-18-7-10-21(27)22(28)13-18)16(3)25(30-24)17-5-8-19(32-4)9-6-17/h5-13H,1-4H3,(H,29,31)
InChIKeyJUULHPUYGXCJFI-UHFFFAOYSA-N
MW465.38 g/mol
LogP7.39
Rot. Bonds4

About N-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide

N-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide (PubChem CID 19648060) has the molecular formula C26H22Cl2N2O2 and a molecular weight of 465.38 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide
PubChem CID19648060
Molecular FormulaC26H22Cl2N2O2
Molecular Weight465.38 g/mol
Exact Mass464.11
IUPAC NameN-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide
SMILESCOc1ccc(-c2nc3c(C)cc(C)cc3c(C(=O)Nc3ccc(Cl)c(Cl)c3)c2C)cc1
InChIInChI=1S/C26H22Cl2N2O2/c1-14-11-15(2)24-20(12-14)23(26(31)29-18-7-10-21(27)22(28)13-18)16(3)25(30-24)17-5-8-19(32-4)9-6-17/h5-13H,1-4H3,(H,29,31)
InChIKeyJUULHPUYGXCJFI-UHFFFAOYSA-N
XLogP7.39
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.38
LogP ≤ 57.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethylphenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19648086
N-(4-bromophenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19648072
N-(3-chlorophenyl)-2-(4-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19647935
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-(3-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647615
N-(3,5-dimethylphenyl)-3,6,8-trimethyl-2-phenylquinoline-4-carboxamide
CID 19647901
N-(2,4-dichlorophenyl)-3,6,8-trimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 19647837
N-(4-ethoxyphenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide
CID 19648017
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
ethyl 4-[[3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carbonyl]amino]benzoate
CID 19648011

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide (CID 19648060) is N-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide is COc1ccc(-c2nc3c(C)cc(C)cc3c(C(=O)Nc3ccc(Cl)c(Cl)c3)c2C)cc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide?
The InChIKey is JUULHPUYGXCJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl2N2O2/c1-14-11-15(2)24-20(12-14)23(26(31)29-18-7-10-21(27)22(28)13-18)16(3)25(30-24)17-5-8-19(32-4)9-6-17/h5-13H,1-4H3,(H,29,31).
What are the key properties of N-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide?
N-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide has a molecular weight of 465.38 g/mol, XLogP of 7.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide is sourced from PubChem (CID 19648060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).