5-methyl-3-pyridin-3-ylquinazolin-4-one

C14H11N3O — CID 150241032

IUPAC5-methyl-3-pyridin-3-ylquinazolin-4-one
SMILESCc1cccc2ncn(-c3cccnc3)c(=O)c12
InChIInChI=1S/C14H11N3O/c1-10-4-2-6-12-13(10)14(18)17(9-16-12)11-5-3-7-15-8-11/h2-9H,1H3
InChIKeyFXNPNXGEDOYPPZ-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.09
Rot. Bonds1

About 5-methyl-3-pyridin-3-ylquinazolin-4-one

5-methyl-3-pyridin-3-ylquinazolin-4-one (PubChem CID 150241032) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 5-methyl-3-pyridin-3-ylquinazolin-4-one.

Molecular Properties

Compound Name5-methyl-3-pyridin-3-ylquinazolin-4-one
PubChem CID150241032
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name5-methyl-3-pyridin-3-ylquinazolin-4-one
SMILESCc1cccc2ncn(-c3cccnc3)c(=O)c12
InChIInChI=1S/C14H11N3O/c1-10-4-2-6-12-13(10)14(18)17(9-16-12)11-5-3-7-15-8-11/h2-9H,1H3
InChIKeyFXNPNXGEDOYPPZ-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 5-methyl-3-pyridin-3-ylquinazolin-4-one?
The IUPAC name of 5-methyl-3-pyridin-3-ylquinazolin-4-one (CID 150241032) is 5-methyl-3-pyridin-3-ylquinazolin-4-one.
What is the SMILES notation for 5-methyl-3-pyridin-3-ylquinazolin-4-one?
The canonical SMILES for 5-methyl-3-pyridin-3-ylquinazolin-4-one is Cc1cccc2ncn(-c3cccnc3)c(=O)c12.
What is the InChIKey of 5-methyl-3-pyridin-3-ylquinazolin-4-one?
The InChIKey is FXNPNXGEDOYPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c1-10-4-2-6-12-13(10)14(18)17(9-16-12)11-5-3-7-15-8-11/h2-9H,1H3.
What are the key properties of 5-methyl-3-pyridin-3-ylquinazolin-4-one?
5-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 5-methyl-3-pyridin-3-ylquinazolin-4-one is sourced from PubChem (CID 150241032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).