2-(4-hexoxy-3-methoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one

C22H28N2O3 — CID 54778229

IUPAC2-(4-hexoxy-3-methoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one
SMILESCCCCCCOc1ccc(C2Nc3ccccc3C(=O)N2C)cc1OC
InChIInChI=1S/C22H28N2O3/c1-4-5-6-9-14-27-19-13-12-16(15-20(19)26-3)21-23-18-11-8-7-10-17(18)22(25)24(21)2/h7-8,10-13,15,21,23H,4-6,9,14H2,1-3H3
InChIKeyVSWIMSRAGSDYJQ-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.85
Rot. Bonds8

About 2-(4-hexoxy-3-methoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one

2-(4-hexoxy-3-methoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one (PubChem CID 54778229) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-(4-hexoxy-3-methoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(4-hexoxy-3-methoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one
PubChem CID54778229
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-(4-hexoxy-3-methoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one
SMILESCCCCCCOc1ccc(C2Nc3ccccc3C(=O)N2C)cc1OC
InChIInChI=1S/C22H28N2O3/c1-4-5-6-9-14-27-19-13-12-16(15-20(19)26-3)21-23-18-11-8-7-10-17(18)22(25)24(21)2/h7-8,10-13,15,21,23H,4-6,9,14H2,1-3H3
InChIKeyVSWIMSRAGSDYJQ-UHFFFAOYSA-N
XLogP4.85
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(4-hexoxy-3-methoxyphenyl)-3-methyl-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-(4-hexoxy-3-methoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(4-hexoxy-3-methoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one (CID 54778229) is 2-(4-hexoxy-3-methoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(4-hexoxy-3-methoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(4-hexoxy-3-methoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one is CCCCCCOc1ccc(C2Nc3ccccc3C(=O)N2C)cc1OC.
What is the InChIKey of 2-(4-hexoxy-3-methoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one?
The InChIKey is VSWIMSRAGSDYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-4-5-6-9-14-27-19-13-12-16(15-20(19)26-3)21-23-18-11-8-7-10-17(18)22(25)24(21)2/h7-8,10-13,15,21,23H,4-6,9,14H2,1-3H3.
What are the key properties of 2-(4-hexoxy-3-methoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one?
2-(4-hexoxy-3-methoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one has a molecular weight of 368.48 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hexoxy-3-methoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 54778229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).