N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide

C27H26N2O2 — CID 19647611

IUPACN-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3C)c3cc(C)cc(C)c3n2)cc1
InChIInChI=1S/C27H26N2O2/c1-16-6-11-24(18(3)12-16)29-27(30)23-15-25(20-7-9-21(31-5)10-8-20)28-26-19(4)13-17(2)14-22(23)26/h6-15H,1-5H3,(H,29,30)
InChIKeyQSIZDEYCHWWULT-UHFFFAOYSA-N
MW410.52 g/mol
LogP6.40
Rot. Bonds4

About N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide

N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide (PubChem CID 19647611) has the molecular formula C27H26N2O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
PubChem CID19647611
Molecular FormulaC27H26N2O2
Molecular Weight410.52 g/mol
Exact Mass410.20
IUPAC NameN-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3C)c3cc(C)cc(C)c3n2)cc1
InChIInChI=1S/C27H26N2O2/c1-16-6-11-24(18(3)12-16)29-27(30)23-15-25(20-7-9-21(31-5)10-8-20)28-26-19(4)13-17(2)14-22(23)26/h6-15H,1-5H3,(H,29,30)
InChIKeyQSIZDEYCHWWULT-UHFFFAOYSA-N
XLogP6.40
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethoxyphenyl)-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 19647672
N-(4-bromo-2,3-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647635
N-(3-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647615
N-(3,5-dimethylphenyl)-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 17260240
2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride
CID 46779377
N-(4-bromo-2-methylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 17258584
2-(4-bromophenyl)-N-(5-chloro-2-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 17261439
N-(5-chloro-2-methoxyphenyl)-2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647766
N-(4-bromo-2-ethylphenyl)-2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 17258303
6-bromo-N-(3-methoxyphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 19646657
(4-tert-butylphenyl) 2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648216
N-(4-bromo-2,3-dimethylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647594

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide (CID 19647611) is N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3C)c3cc(C)cc(C)c3n2)cc1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide?
The InChIKey is QSIZDEYCHWWULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O2/c1-16-6-11-24(18(3)12-16)29-27(30)23-15-25(20-7-9-21(31-5)10-8-20)28-26-19(4)13-17(2)14-22(23)26/h6-15H,1-5H3,(H,29,30).
What are the key properties of N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide?
N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 6.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide is sourced from PubChem (CID 19647611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).