3-cyclobutylquinazolin-4-one

C12H12N2O — CID 171781936

IUPAC3-cyclobutylquinazolin-4-one
SMILESO=c1c2ccccc2ncn1C1CCC1
InChIInChI=1S/C12H12N2O/c15-12-10-6-1-2-7-11(10)13-8-14(12)9-4-3-5-9/h1-2,6-9H,3-5H2
InChIKeyJBXMCISHWGFWNT-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.12
Rot. Bonds1

About 3-cyclobutylquinazolin-4-one

3-cyclobutylquinazolin-4-one (PubChem CID 171781936) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-cyclobutylquinazolin-4-one.

Molecular Properties

Compound Name3-cyclobutylquinazolin-4-one
PubChem CID171781936
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name3-cyclobutylquinazolin-4-one
SMILESO=c1c2ccccc2ncn1C1CCC1
InChIInChI=1S/C12H12N2O/c15-12-10-6-1-2-7-11(10)13-8-14(12)9-4-3-5-9/h1-2,6-9H,3-5H2
InChIKeyJBXMCISHWGFWNT-UHFFFAOYSA-N
XLogP2.12
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutylquinazolin-4-one?
The IUPAC name of 3-cyclobutylquinazolin-4-one (CID 171781936) is 3-cyclobutylquinazolin-4-one.
What is the SMILES notation for 3-cyclobutylquinazolin-4-one?
The canonical SMILES for 3-cyclobutylquinazolin-4-one is O=c1c2ccccc2ncn1C1CCC1.
What is the InChIKey of 3-cyclobutylquinazolin-4-one?
The InChIKey is JBXMCISHWGFWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c15-12-10-6-1-2-7-11(10)13-8-14(12)9-4-3-5-9/h1-2,6-9H,3-5H2.
What are the key properties of 3-cyclobutylquinazolin-4-one?
3-cyclobutylquinazolin-4-one has a molecular weight of 200.24 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutylquinazolin-4-one is sourced from PubChem (CID 171781936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).