2-butyl-3H-quinazolin-4-one

C12H14N2O — CID 135512543

IUPAC2-butyl-3H-quinazolin-4-one
SMILESCCCCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C12H14N2O/c1-2-3-8-11-13-10-7-5-4-6-9(10)12(15)14-11/h4-7H,2-3,8H2,1H3,(H,13,14,15)
InChIKeyWBFIFMJPHUALRV-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.27
Rot. Bonds3

About 2-butyl-3H-quinazolin-4-one

2-butyl-3H-quinazolin-4-one (PubChem CID 135512543) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-butyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-butyl-3H-quinazolin-4-one
PubChem CID135512543
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-butyl-3H-quinazolin-4-one
SMILESCCCCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C12H14N2O/c1-2-3-8-11-13-10-7-5-4-6-9(10)12(15)14-11/h4-7H,2-3,8H2,1H3,(H,13,14,15)
InChIKeyWBFIFMJPHUALRV-UHFFFAOYSA-N
XLogP2.27
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-butyl-3H-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 2-butyl-3H-quinazolin-4-one?
The IUPAC name of 2-butyl-3H-quinazolin-4-one (CID 135512543) is 2-butyl-3H-quinazolin-4-one.
What is the SMILES notation for 2-butyl-3H-quinazolin-4-one?
The canonical SMILES for 2-butyl-3H-quinazolin-4-one is CCCCc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-butyl-3H-quinazolin-4-one?
The InChIKey is WBFIFMJPHUALRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-2-3-8-11-13-10-7-5-4-6-9(10)12(15)14-11/h4-7H,2-3,8H2,1H3,(H,13,14,15).
What are the key properties of 2-butyl-3H-quinazolin-4-one?
2-butyl-3H-quinazolin-4-one has a molecular weight of 202.26 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3H-quinazolin-4-one is sourced from PubChem (CID 135512543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).