2-(azetidin-2-yl)-3-methyl-7-pyridin-2-ylquinazolin-4-one

C17H16N4O — CID 70644787

IUPAC2-(azetidin-2-yl)-3-methyl-7-pyridin-2-ylquinazolin-4-one
SMILESCn1c(C2CCN2)nc2cc(-c3ccccn3)ccc2c1=O
InChIInChI=1S/C17H16N4O/c1-21-16(14-7-9-19-14)20-15-10-11(5-6-12(15)17(21)22)13-4-2-3-8-18-13/h2-6,8,10,14,19H,7,9H2,1H3
InChIKeyRJGMRRPEPCLGIN-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.03
Rot. Bonds2

About 2-(azetidin-2-yl)-3-methyl-7-pyridin-2-ylquinazolin-4-one

2-(azetidin-2-yl)-3-methyl-7-pyridin-2-ylquinazolin-4-one (PubChem CID 70644787) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-(azetidin-2-yl)-3-methyl-7-pyridin-2-ylquinazolin-4-one.

Molecular Properties

Compound Name2-(azetidin-2-yl)-3-methyl-7-pyridin-2-ylquinazolin-4-one
PubChem CID70644787
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name2-(azetidin-2-yl)-3-methyl-7-pyridin-2-ylquinazolin-4-one
SMILESCn1c(C2CCN2)nc2cc(-c3ccccn3)ccc2c1=O
InChIInChI=1S/C17H16N4O/c1-21-16(14-7-9-19-14)20-15-10-11(5-6-12(15)17(21)22)13-4-2-3-8-18-13/h2-6,8,10,14,19H,7,9H2,1H3
InChIKeyRJGMRRPEPCLGIN-UHFFFAOYSA-N
XLogP2.03
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-2-yl)-3-methyl-7-pyridin-2-ylquinazolin-4-one?
The IUPAC name of 2-(azetidin-2-yl)-3-methyl-7-pyridin-2-ylquinazolin-4-one (CID 70644787) is 2-(azetidin-2-yl)-3-methyl-7-pyridin-2-ylquinazolin-4-one.
What is the SMILES notation for 2-(azetidin-2-yl)-3-methyl-7-pyridin-2-ylquinazolin-4-one?
The canonical SMILES for 2-(azetidin-2-yl)-3-methyl-7-pyridin-2-ylquinazolin-4-one is Cn1c(C2CCN2)nc2cc(-c3ccccn3)ccc2c1=O.
What is the InChIKey of 2-(azetidin-2-yl)-3-methyl-7-pyridin-2-ylquinazolin-4-one?
The InChIKey is RJGMRRPEPCLGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-21-16(14-7-9-19-14)20-15-10-11(5-6-12(15)17(21)22)13-4-2-3-8-18-13/h2-6,8,10,14,19H,7,9H2,1H3.
What are the key properties of 2-(azetidin-2-yl)-3-methyl-7-pyridin-2-ylquinazolin-4-one?
2-(azetidin-2-yl)-3-methyl-7-pyridin-2-ylquinazolin-4-one has a molecular weight of 292.34 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-2-yl)-3-methyl-7-pyridin-2-ylquinazolin-4-one is sourced from PubChem (CID 70644787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).