2-(2-hydroxy-3-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one

C20H22N2O4 — CID 17396250

IUPAC2-(2-hydroxy-3-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1cccc(C2Nc3ccccc3C(=O)N2CC2CCCO2)c1O
InChIInChI=1S/C20H22N2O4/c1-25-17-10-4-8-15(18(17)23)19-21-16-9-3-2-7-14(16)20(24)22(19)12-13-6-5-11-26-13/h2-4,7-10,13,19,21,23H,5-6,11-12H2,1H3
InChIKeyQSCBDOWAONGNGZ-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.15
Rot. Bonds4

About 2-(2-hydroxy-3-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one

2-(2-hydroxy-3-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one (PubChem CID 17396250) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-(2-hydroxy-3-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(2-hydroxy-3-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
PubChem CID17396250
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name2-(2-hydroxy-3-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1cccc(C2Nc3ccccc3C(=O)N2CC2CCCO2)c1O
InChIInChI=1S/C20H22N2O4/c1-25-17-10-4-8-15(18(17)23)19-21-16-9-3-2-7-14(16)20(24)22(19)12-13-6-5-11-26-13/h2-4,7-10,13,19,21,23H,5-6,11-12H2,1H3
InChIKeyQSCBDOWAONGNGZ-UHFFFAOYSA-N
XLogP3.15
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-(2-hydroxy-3-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-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-hydroxy-3-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(2-hydroxy-3-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one (CID 17396250) is 2-(2-hydroxy-3-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(2-hydroxy-3-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(2-hydroxy-3-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one is COc1cccc(C2Nc3ccccc3C(=O)N2CC2CCCO2)c1O.
What is the InChIKey of 2-(2-hydroxy-3-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is QSCBDOWAONGNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-25-17-10-4-8-15(18(17)23)19-21-16-9-3-2-7-14(16)20(24)22(19)12-13-6-5-11-26-13/h2-4,7-10,13,19,21,23H,5-6,11-12H2,1H3.
What are the key properties of 2-(2-hydroxy-3-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one?
2-(2-hydroxy-3-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 354.41 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 17396250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).