2-(3,4-dimethylphenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-methylquinoline-4-carboxamide

C26H28N4O — CID 17375096

IUPAC2-(3,4-dimethylphenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-methylquinoline-4-carboxamide
SMILESCCn1ncc(CNC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccc(C)cc23)c1C
InChIInChI=1S/C26H28N4O/c1-6-30-19(5)21(15-28-30)14-27-26(31)23-13-25(20-9-8-17(3)18(4)12-20)29-24-10-7-16(2)11-22(23)24/h7-13,15H,6,14H2,1-5H3,(H,27,31)
InChIKeyRWYKZJYMXVGHPC-UHFFFAOYSA-N
MW412.54 g/mol
LogP5.28
Rot. Bonds5

About 2-(3,4-dimethylphenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-methylquinoline-4-carboxamide

2-(3,4-dimethylphenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-methylquinoline-4-carboxamide (PubChem CID 17375096) has the molecular formula C26H28N4O and a molecular weight of 412.54 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-methylquinoline-4-carboxamide
PubChem CID17375096
Molecular FormulaC26H28N4O
Molecular Weight412.54 g/mol
Exact Mass412.23
IUPAC Name2-(3,4-dimethylphenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-methylquinoline-4-carboxamide
SMILESCCn1ncc(CNC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccc(C)cc23)c1C
InChIInChI=1S/C26H28N4O/c1-6-30-19(5)21(15-28-30)14-27-26(31)23-13-25(20-9-8-17(3)18(4)12-20)29-24-10-7-16(2)11-22(23)24/h7-13,15H,6,14H2,1-5H3,(H,27,31)
InChIKeyRWYKZJYMXVGHPC-UHFFFAOYSA-N
XLogP5.28
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.54
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethylphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-6-methylquinoline-4-carboxamide
CID 17375106
2-(3,4-dimethylphenyl)-6-methyl-N-(2-methylpropyl)quinoline-4-carboxamide
CID 42749695
7-(difluoromethyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1094025
2-(3,4-dimethylphenyl)-6-methyl-N-propan-2-ylquinoline-4-carboxamide
CID 42749696
2-(3-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,6-dimethylquinoline-4-carboxamide
CID 164766955
N-[(2-methoxyphenyl)methyl]-6-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798396
2-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 19512084
2-(3,4-dimethylphenyl)-N-nonylquinoline-4-carboxamide
CID 4090468
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,3-dimethoxybenzamide
CID 35762282
2-(4-methoxyphenyl)-6-methyl-N-pentylquinoline-4-carboxamide
CID 42749978
2-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]ethyl-diethylazanium
CID 4114426
N-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-2-(3-hydroxyphenyl)quinoline-4-carboxamide
CID 167060182

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-methylquinoline-4-carboxamide?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-methylquinoline-4-carboxamide (CID 17375096) is 2-(3,4-dimethylphenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-methylquinoline-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-methylquinoline-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-methylquinoline-4-carboxamide is CCn1ncc(CNC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccc(C)cc23)c1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-methylquinoline-4-carboxamide?
The InChIKey is RWYKZJYMXVGHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O/c1-6-30-19(5)21(15-28-30)14-27-26(31)23-13-25(20-9-8-17(3)18(4)12-20)29-24-10-7-16(2)11-22(23)24/h7-13,15H,6,14H2,1-5H3,(H,27,31).
What are the key properties of 2-(3,4-dimethylphenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-methylquinoline-4-carboxamide?
2-(3,4-dimethylphenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-methylquinoline-4-carboxamide has a molecular weight of 412.54 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-methylquinoline-4-carboxamide is sourced from PubChem (CID 17375096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).