N-(2,5-dimethoxyphenyl)-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide

C27H26N2O3 — CID 19647672

IUPACN-(2,5-dimethoxyphenyl)-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cc(-c3ccc(C)cc3)nc3c(C)cc(C)cc23)c1
InChIInChI=1S/C27H26N2O3/c1-16-6-8-19(9-7-16)23-15-22(21-13-17(2)12-18(3)26(21)28-23)27(30)29-24-14-20(31-4)10-11-25(24)32-5/h6-15H,1-5H3,(H,29,30)
InChIKeyQMCVXVUOCBLSBK-UHFFFAOYSA-N
MW426.52 g/mol
LogP6.10
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide

N-(2,5-dimethoxyphenyl)-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide (PubChem CID 19647672) has the molecular formula C27H26N2O3 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
PubChem CID19647672
Molecular FormulaC27H26N2O3
Molecular Weight426.52 g/mol
Exact Mass426.19
IUPAC NameN-(2,5-dimethoxyphenyl)-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cc(-c3ccc(C)cc3)nc3c(C)cc(C)cc23)c1
InChIInChI=1S/C27H26N2O3/c1-16-6-8-19(9-7-16)23-15-22(21-13-17(2)12-18(3)26(21)28-23)27(30)29-24-14-20(31-4)10-11-25(24)32-5/h6-15H,1-5H3,(H,29,30)
InChIKeyQMCVXVUOCBLSBK-UHFFFAOYSA-N
XLogP6.10
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647611
N-(5-chloro-2-methoxyphenyl)-2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647766
2-(4-bromophenyl)-N-(5-chloro-2-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 17261439
N-(4-bromo-2,3-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647635
6-bromo-N-(5-chloro-2-methoxyphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 19646659
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
2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 5094767
6-bromo-N-(3-methoxyphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 19646657
2-(2,5-dimethoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride
CID 46779379
(3,4-dimethylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 19648258

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide (CID 19647672) is N-(2,5-dimethoxyphenyl)-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide is COc1ccc(OC)c(NC(=O)c2cc(-c3ccc(C)cc3)nc3c(C)cc(C)cc23)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide?
The InChIKey is QMCVXVUOCBLSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O3/c1-16-6-8-19(9-7-16)23-15-22(21-13-17(2)12-18(3)26(21)28-23)27(30)29-24-14-20(31-4)10-11-25(24)32-5/h6-15H,1-5H3,(H,29,30).
What are the key properties of N-(2,5-dimethoxyphenyl)-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide?
N-(2,5-dimethoxyphenyl)-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 6.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 19647672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).