[2-(3,4-dimethylphenyl)-8-methylquinolin-4-yl]-pyrazol-1-ylmethanone

C22H19N3O — CID 17373725

IUPAC[2-(3,4-dimethylphenyl)-8-methylquinolin-4-yl]-pyrazol-1-ylmethanone
SMILESCc1ccc(-c2cc(C(=O)n3cccn3)c3cccc(C)c3n2)cc1C
InChIInChI=1S/C22H19N3O/c1-14-8-9-17(12-16(14)3)20-13-19(22(26)25-11-5-10-23-25)18-7-4-6-15(2)21(18)24-20/h4-13H,1-3H3
InChIKeyQWPFTRGKDPJTMU-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.71
Rot. Bonds2

About [2-(3,4-dimethylphenyl)-8-methylquinolin-4-yl]-pyrazol-1-ylmethanone

[2-(3,4-dimethylphenyl)-8-methylquinolin-4-yl]-pyrazol-1-ylmethanone (PubChem CID 17373725) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is [2-(3,4-dimethylphenyl)-8-methylquinolin-4-yl]-pyrazol-1-ylmethanone.

Molecular Properties

Compound Name[2-(3,4-dimethylphenyl)-8-methylquinolin-4-yl]-pyrazol-1-ylmethanone
PubChem CID17373725
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name[2-(3,4-dimethylphenyl)-8-methylquinolin-4-yl]-pyrazol-1-ylmethanone
SMILESCc1ccc(-c2cc(C(=O)n3cccn3)c3cccc(C)c3n2)cc1C
InChIInChI=1S/C22H19N3O/c1-14-8-9-17(12-16(14)3)20-13-19(22(26)25-11-5-10-23-25)18-7-4-6-15(2)21(18)24-20/h4-13H,1-3H3
InChIKeyQWPFTRGKDPJTMU-UHFFFAOYSA-N
XLogP4.71
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethylphenyl)-8-methylquinolin-4-yl]-pyrazol-1-ylmethanone?
The IUPAC name of [2-(3,4-dimethylphenyl)-8-methylquinolin-4-yl]-pyrazol-1-ylmethanone (CID 17373725) is [2-(3,4-dimethylphenyl)-8-methylquinolin-4-yl]-pyrazol-1-ylmethanone.
What is the SMILES notation for [2-(3,4-dimethylphenyl)-8-methylquinolin-4-yl]-pyrazol-1-ylmethanone?
The canonical SMILES for [2-(3,4-dimethylphenyl)-8-methylquinolin-4-yl]-pyrazol-1-ylmethanone is Cc1ccc(-c2cc(C(=O)n3cccn3)c3cccc(C)c3n2)cc1C.
What is the InChIKey of [2-(3,4-dimethylphenyl)-8-methylquinolin-4-yl]-pyrazol-1-ylmethanone?
The InChIKey is QWPFTRGKDPJTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-14-8-9-17(12-16(14)3)20-13-19(22(26)25-11-5-10-23-25)18-7-4-6-15(2)21(18)24-20/h4-13H,1-3H3.
What are the key properties of [2-(3,4-dimethylphenyl)-8-methylquinolin-4-yl]-pyrazol-1-ylmethanone?
[2-(3,4-dimethylphenyl)-8-methylquinolin-4-yl]-pyrazol-1-ylmethanone has a molecular weight of 341.41 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethylphenyl)-8-methylquinolin-4-yl]-pyrazol-1-ylmethanone is sourced from PubChem (CID 17373725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).