2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one

C13H14N2O2 — CID 136829190

IUPAC2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCc1occc1-c1nc2c(c(=O)[nH]1)CCCC2
InChIInChI=1S/C13H14N2O2/c1-8-9(6-7-17-8)12-14-11-5-3-2-4-10(11)13(16)15-12/h6-7H,2-5H2,1H3,(H,14,15,16)
InChIKeyFKGXPSBRHFSESX-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.22
Rot. Bonds1

About 2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one

2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 136829190) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID136829190
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCc1occc1-c1nc2c(c(=O)[nH]1)CCCC2
InChIInChI=1S/C13H14N2O2/c1-8-9(6-7-17-8)12-14-11-5-3-2-4-10(11)13(16)15-12/h6-7H,2-5H2,1H3,(H,14,15,16)
InChIKeyFKGXPSBRHFSESX-UHFFFAOYSA-N
XLogP2.22
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydro-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-(2-methylfuran-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 136829190) is 2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is Cc1occc1-c1nc2c(c(=O)[nH]1)CCCC2.
What is the InChIKey of 2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is FKGXPSBRHFSESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-8-9(6-7-17-8)12-14-11-5-3-2-4-10(11)13(16)15-12/h6-7H,2-5H2,1H3,(H,14,15,16).
What are the key properties of 2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 230.27 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 136829190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).