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

C25H26N4O — CID 17375106

IUPAC2-(3,4-dimethylphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-6-methylquinoline-4-carboxamide
SMILESCCn1cc(CNC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccc(C)cc23)cn1
InChIInChI=1S/C25H26N4O/c1-5-29-15-19(14-27-29)13-26-25(30)22-12-24(20-8-7-17(3)18(4)11-20)28-23-9-6-16(2)10-21(22)23/h6-12,14-15H,5,13H2,1-4H3,(H,26,30)
InChIKeySCGMHRBLPLNYEP-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.97
Rot. Bonds5

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

2-(3,4-dimethylphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-6-methylquinoline-4-carboxamide (PubChem CID 17375106) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-6-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-6-methylquinoline-4-carboxamide
PubChem CID17375106
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name2-(3,4-dimethylphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-6-methylquinoline-4-carboxamide
SMILESCCn1cc(CNC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccc(C)cc23)cn1
InChIInChI=1S/C25H26N4O/c1-5-29-15-19(14-27-29)13-26-25(30)22-12-24(20-8-7-17(3)18(4)11-20)28-23-9-6-16(2)10-21(22)23/h6-12,14-15H,5,13H2,1-4H3,(H,26,30)
InChIKeySCGMHRBLPLNYEP-UHFFFAOYSA-N
XLogP4.97
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethylphenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-methylquinoline-4-carboxamide
CID 17375096
6-bromo-2-(4-ethoxyphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 1225914
2-(3,4-dimethylphenyl)-6-methyl-N-(2-methylpropyl)quinoline-4-carboxamide
CID 42749695
2-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 19512084
2-(3,4-dimethylphenyl)-6-methyl-N-propan-2-ylquinoline-4-carboxamide
CID 42749696
N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbenzamide
CID 19290566
N-ethyl-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518786
2-(4-methoxyphenyl)-6-methyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24717051
2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 19513012
2-(3,4-dimethylphenyl)-N-nonylquinoline-4-carboxamide
CID 4090468
N-[(1-methylpyrazol-4-yl)methyl]-2-(4-propylphenyl)quinoline-4-carboxamide
CID 1257098
2-(4-ethoxyphenyl)-6-methyl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
CID 998766

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-6-methylquinoline-4-carboxamide?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-6-methylquinoline-4-carboxamide (CID 17375106) is 2-(3,4-dimethylphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-6-methylquinoline-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-6-methylquinoline-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-6-methylquinoline-4-carboxamide is CCn1cc(CNC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccc(C)cc23)cn1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-6-methylquinoline-4-carboxamide?
The InChIKey is SCGMHRBLPLNYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-5-29-15-19(14-27-29)13-26-25(30)22-12-24(20-8-7-17(3)18(4)11-20)28-23-9-6-16(2)10-21(22)23/h6-12,14-15H,5,13H2,1-4H3,(H,26,30).
What are the key properties of 2-(3,4-dimethylphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-6-methylquinoline-4-carboxamide?
2-(3,4-dimethylphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-6-methylquinoline-4-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 4.97, 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-ethylpyrazol-4-yl)methyl]-6-methylquinoline-4-carboxamide is sourced from PubChem (CID 17375106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).