2-methyl-6-(1H-pyrazol-4-yl)-1H-quinolin-4-one

C13H11N3O — CID 50959381

IUPAC2-methyl-6-(1H-pyrazol-4-yl)-1H-quinolin-4-one
SMILESCc1cc(=O)c2cc(-c3cn[nH]c3)ccc2[nH]1
InChIInChI=1S/C13H11N3O/c1-8-4-13(17)11-5-9(2-3-12(11)16-8)10-6-14-15-7-10/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeyCSOKHZGGILJVOQ-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.23
Rot. Bonds1

About 2-methyl-6-(1H-pyrazol-4-yl)-1H-quinolin-4-one

2-methyl-6-(1H-pyrazol-4-yl)-1H-quinolin-4-one (PubChem CID 50959381) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-methyl-6-(1H-pyrazol-4-yl)-1H-quinolin-4-one.

Molecular Properties

Compound Name2-methyl-6-(1H-pyrazol-4-yl)-1H-quinolin-4-one
PubChem CID50959381
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name2-methyl-6-(1H-pyrazol-4-yl)-1H-quinolin-4-one
SMILESCc1cc(=O)c2cc(-c3cn[nH]c3)ccc2[nH]1
InChIInChI=1S/C13H11N3O/c1-8-4-13(17)11-5-9(2-3-12(11)16-8)10-6-14-15-7-10/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeyCSOKHZGGILJVOQ-UHFFFAOYSA-N
XLogP2.23
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(1H-pyrazol-4-yl)-1H-quinolin-4-one?
The IUPAC name of 2-methyl-6-(1H-pyrazol-4-yl)-1H-quinolin-4-one (CID 50959381) is 2-methyl-6-(1H-pyrazol-4-yl)-1H-quinolin-4-one.
What is the SMILES notation for 2-methyl-6-(1H-pyrazol-4-yl)-1H-quinolin-4-one?
The canonical SMILES for 2-methyl-6-(1H-pyrazol-4-yl)-1H-quinolin-4-one is Cc1cc(=O)c2cc(-c3cn[nH]c3)ccc2[nH]1.
What is the InChIKey of 2-methyl-6-(1H-pyrazol-4-yl)-1H-quinolin-4-one?
The InChIKey is CSOKHZGGILJVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-8-4-13(17)11-5-9(2-3-12(11)16-8)10-6-14-15-7-10/h2-7H,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-methyl-6-(1H-pyrazol-4-yl)-1H-quinolin-4-one?
2-methyl-6-(1H-pyrazol-4-yl)-1H-quinolin-4-one has a molecular weight of 225.25 g/mol, XLogP of 2.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(1H-pyrazol-4-yl)-1H-quinolin-4-one is sourced from PubChem (CID 50959381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).