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

C14H14N2O2 — CID 135442372

IUPAC2-(2-hydroxyphenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccccc2O)nc2c1CCCC2
InChIInChI=1S/C14H14N2O2/c17-12-8-4-2-6-10(12)13-15-11-7-3-1-5-9(11)14(18)16-13/h2,4,6,8,17H,1,3,5,7H2,(H,15,16,18)
InChIKeyHJRGCXWTEOVKLE-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.02
Rot. Bonds1

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

2-(2-hydroxyphenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 135442372) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID135442372
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name2-(2-hydroxyphenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccccc2O)nc2c1CCCC2
InChIInChI=1S/C14H14N2O2/c17-12-8-4-2-6-10(12)13-15-11-7-3-1-5-9(11)14(18)16-13/h2,4,6,8,17H,1,3,5,7H2,(H,15,16,18)
InChIKeyHJRGCXWTEOVKLE-UHFFFAOYSA-N
XLogP2.02
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-hydroxyphenyl)-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-hydroxyphenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 2-(2-hydroxyphenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 135442372) is 2-(2-hydroxyphenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 2-(2-hydroxyphenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 2-(2-hydroxyphenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is O=c1[nH]c(-c2ccccc2O)nc2c1CCCC2.
What is the InChIKey of 2-(2-hydroxyphenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is HJRGCXWTEOVKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c17-12-8-4-2-6-10(12)13-15-11-7-3-1-5-9(11)14(18)16-13/h2,4,6,8,17H,1,3,5,7H2,(H,15,16,18).
What are the key properties of 2-(2-hydroxyphenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
2-(2-hydroxyphenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 242.28 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 135442372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).