3-methyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one

C18H15N5O — CID 66561650

IUPAC3-methyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one
SMILESCc1cccc(-n2nccc2-c2ccc3ncn(C)c(=O)c3c2)n1
InChIInChI=1S/C18H15N5O/c1-12-4-3-5-17(21-12)23-16(8-9-20-23)13-6-7-15-14(10-13)18(24)22(2)11-19-15/h3-11H,1-2H3
InChIKeyOWIYYKSTVQMPLM-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.49
Rot. Bonds2

About 3-methyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one

3-methyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one (PubChem CID 66561650) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-methyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-methyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one
PubChem CID66561650
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name3-methyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one
SMILESCc1cccc(-n2nccc2-c2ccc3ncn(C)c(=O)c3c2)n1
InChIInChI=1S/C18H15N5O/c1-12-4-3-5-17(21-12)23-16(8-9-20-23)13-6-7-15-14(10-13)18(24)22(2)11-19-15/h3-11H,1-2H3
InChIKeyOWIYYKSTVQMPLM-UHFFFAOYSA-N
XLogP2.49
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-methyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one?
The IUPAC name of 3-methyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one (CID 66561650) is 3-methyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one.
What is the SMILES notation for 3-methyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one?
The canonical SMILES for 3-methyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one is Cc1cccc(-n2nccc2-c2ccc3ncn(C)c(=O)c3c2)n1.
What is the InChIKey of 3-methyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one?
The InChIKey is OWIYYKSTVQMPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-12-4-3-5-17(21-12)23-16(8-9-20-23)13-6-7-15-14(10-13)18(24)22(2)11-19-15/h3-11H,1-2H3.
What are the key properties of 3-methyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one?
3-methyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one has a molecular weight of 317.35 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one is sourced from PubChem (CID 66561650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).