2-methyl-3-pyridin-3-ylquinazolin-4-one

C14H11N3O — CID 654436

IUPAC2-methyl-3-pyridin-3-ylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1-c1cccnc1
InChIInChI=1S/C14H11N3O/c1-10-16-13-7-3-2-6-12(13)14(18)17(10)11-5-4-8-15-9-11/h2-9H,1H3
InChIKeyZLVHQWMBSKEKFB-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.09
Rot. Bonds1

About 2-methyl-3-pyridin-3-ylquinazolin-4-one

2-methyl-3-pyridin-3-ylquinazolin-4-one (PubChem CID 654436) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-methyl-3-pyridin-3-ylquinazolin-4-one.

Molecular Properties

Compound Name2-methyl-3-pyridin-3-ylquinazolin-4-one
PubChem CID654436
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name2-methyl-3-pyridin-3-ylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1-c1cccnc1
InChIInChI=1S/C14H11N3O/c1-10-16-13-7-3-2-6-12(13)14(18)17(10)11-5-4-8-15-9-11/h2-9H,1H3
InChIKeyZLVHQWMBSKEKFB-UHFFFAOYSA-N
XLogP2.09
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-pyridin-3-ylquinazolin-4-one?
The IUPAC name of 2-methyl-3-pyridin-3-ylquinazolin-4-one (CID 654436) is 2-methyl-3-pyridin-3-ylquinazolin-4-one.
What is the SMILES notation for 2-methyl-3-pyridin-3-ylquinazolin-4-one?
The canonical SMILES for 2-methyl-3-pyridin-3-ylquinazolin-4-one is Cc1nc2ccccc2c(=O)n1-c1cccnc1.
What is the InChIKey of 2-methyl-3-pyridin-3-ylquinazolin-4-one?
The InChIKey is ZLVHQWMBSKEKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c1-10-16-13-7-3-2-6-12(13)14(18)17(10)11-5-4-8-15-9-11/h2-9H,1H3.
What are the key properties of 2-methyl-3-pyridin-3-ylquinazolin-4-one?
2-methyl-3-pyridin-3-ylquinazolin-4-one has a molecular weight of 237.26 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-pyridin-3-ylquinazolin-4-one is sourced from PubChem (CID 654436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).