N-(2,5-dimethoxyphenyl)-6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]quinoline-4-carboxamide

C30H28N4O3 — CID 46323601

IUPACN-(2,5-dimethoxyphenyl)-6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cc(-c3cnn(-c4ccc(C)cc4)c3C)nc3ccc(C)cc23)c1
InChIInChI=1S/C30H28N4O3/c1-18-6-9-21(10-7-18)34-20(3)25(17-31-34)27-16-24(23-14-19(2)8-12-26(23)32-27)30(35)33-28-15-22(36-4)11-13-29(28)37-5/h6-17H,1-5H3,(H,33,35)
InChIKeyGINCPXUDUUUCJK-UHFFFAOYSA-N
MW492.58 g/mol
LogP6.28
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]quinoline-4-carboxamide

N-(2,5-dimethoxyphenyl)-6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]quinoline-4-carboxamide (PubChem CID 46323601) has the molecular formula C30H28N4O3 and a molecular weight of 492.58 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
PubChem CID46323601
Molecular FormulaC30H28N4O3
Molecular Weight492.58 g/mol
Exact Mass492.22
IUPAC NameN-(2,5-dimethoxyphenyl)-6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cc(-c3cnn(-c4ccc(C)cc4)c3C)nc3ccc(C)cc23)c1
InChIInChI=1S/C30H28N4O3/c1-18-6-9-21(10-7-18)34-20(3)25(17-31-34)27-16-24(23-14-19(2)8-12-26(23)32-27)30(35)33-28-15-22(36-4)11-13-29(28)37-5/h6-17H,1-5H3,(H,33,35)
InChIKeyGINCPXUDUUUCJK-UHFFFAOYSA-N
XLogP6.28
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.58
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]-6-methyl-N-(3-methylbutyl)quinoline-4-carboxamide
CID 46323553
N-[(4-fluorophenyl)methyl]-2-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]-6-methylquinoline-4-carboxamide
CID 46323558
N-(5-chloro-2-methoxyphenyl)-2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide
CID 46323375
N-(2-methoxyphenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 46323531
2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(4-methoxyphenyl)quinoline-4-carboxamide
CID 50779234
1-(4-bromophenyl)-N-(2,5-dimethoxyphenyl)-5-methylpyrazole-4-carboxamide
CID 31940513
6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide
CID 92869410
6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]-N-(1-phenylethyl)quinoline-4-carboxamide
CID 46323602
N-cyclohexyl-6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 46323629
2-(2,5-dimethoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 841838
N-(2,5-dimethoxyphenyl)-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 19647672
2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 5094767

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]quinoline-4-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]quinoline-4-carboxamide (CID 46323601) is N-(2,5-dimethoxyphenyl)-6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]quinoline-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]quinoline-4-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]quinoline-4-carboxamide is COc1ccc(OC)c(NC(=O)c2cc(-c3cnn(-c4ccc(C)cc4)c3C)nc3ccc(C)cc23)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]quinoline-4-carboxamide?
The InChIKey is GINCPXUDUUUCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O3/c1-18-6-9-21(10-7-18)34-20(3)25(17-31-34)27-16-24(23-14-19(2)8-12-26(23)32-27)30(35)33-28-15-22(36-4)11-13-29(28)37-5/h6-17H,1-5H3,(H,33,35).
What are the key properties of N-(2,5-dimethoxyphenyl)-6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]quinoline-4-carboxamide?
N-(2,5-dimethoxyphenyl)-6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]quinoline-4-carboxamide has a molecular weight of 492.58 g/mol, XLogP of 6.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]quinoline-4-carboxamide is sourced from PubChem (CID 46323601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).