3-(cyclohexen-1-ylmethyl)-6,7,8-trimethoxyquinazolin-4-one

C18H22N2O4 — CID 171916483

IUPAC3-(cyclohexen-1-ylmethyl)-6,7,8-trimethoxyquinazolin-4-one
SMILESCOc1cc2c(=O)n(CC3=CCCCC3)cnc2c(OC)c1OC
InChIInChI=1S/C18H22N2O4/c1-22-14-9-13-15(17(24-3)16(14)23-2)19-11-20(18(13)21)10-12-7-5-4-6-8-12/h7,9,11H,4-6,8,10H2,1-3H3
InChIKeyWHOBKYPCNPMCFE-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.92
Rot. Bonds5

About 3-(cyclohexen-1-ylmethyl)-6,7,8-trimethoxyquinazolin-4-one

3-(cyclohexen-1-ylmethyl)-6,7,8-trimethoxyquinazolin-4-one (PubChem CID 171916483) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 3-(cyclohexen-1-ylmethyl)-6,7,8-trimethoxyquinazolin-4-one.

Molecular Properties

Compound Name3-(cyclohexen-1-ylmethyl)-6,7,8-trimethoxyquinazolin-4-one
PubChem CID171916483
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name3-(cyclohexen-1-ylmethyl)-6,7,8-trimethoxyquinazolin-4-one
SMILESCOc1cc2c(=O)n(CC3=CCCCC3)cnc2c(OC)c1OC
InChIInChI=1S/C18H22N2O4/c1-22-14-9-13-15(17(24-3)16(14)23-2)19-11-20(18(13)21)10-12-7-5-4-6-8-12/h7,9,11H,4-6,8,10H2,1-3H3
InChIKeyWHOBKYPCNPMCFE-UHFFFAOYSA-N
XLogP2.92
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(cyclohexen-1-ylmethyl)-6,7,8-trimethoxyquinazolin-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

Related Compounds

6,7,8-trimethoxy-3-[(5-methylthiophen-2-yl)methyl]quinazolin-4-one
CID 171386238
3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6,7,8-trimethoxyquinazolin-4-one
CID 171913094
3-(4-aminobutyl)-6,7,8-trimethoxyquinazolin-4-one
CID 171910792
3-[2-(4-hydroxyphenyl)ethyl]-6,7,8-trimethoxyquinazolin-4-one
CID 171913415
6,7,8-trimethoxy-3-(oxan-4-ylmethyl)quinazolin-4-one
CID 171389522
6,7,8-trimethoxy-3-[[1-(2-methylpropyl)cyclobutyl]methyl]quinazolin-4-one
CID 171914116
6,7,8-trimethoxy-3-[(4-methoxypiperidin-4-yl)methyl]quinazolin-4-one
CID 171909580
6,7,8-trimethoxy-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]quinazolin-4-one
CID 171915041
3-[3-(1H-imidazol-2-yl)propyl]-6,7,8-trimethoxyquinazolin-4-one
CID 171912180
3-[2-(1-ethylpiperidin-4-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-one
CID 171388425
3-(3-imidazol-1-ylpropyl)-6,7,8-trimethoxyquinazolin-4-one
CID 171388321
3-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6,7,8-trimethoxyquinazolin-4-one
CID 171914740

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexen-1-ylmethyl)-6,7,8-trimethoxyquinazolin-4-one?
The IUPAC name of 3-(cyclohexen-1-ylmethyl)-6,7,8-trimethoxyquinazolin-4-one (CID 171916483) is 3-(cyclohexen-1-ylmethyl)-6,7,8-trimethoxyquinazolin-4-one.
What is the SMILES notation for 3-(cyclohexen-1-ylmethyl)-6,7,8-trimethoxyquinazolin-4-one?
The canonical SMILES for 3-(cyclohexen-1-ylmethyl)-6,7,8-trimethoxyquinazolin-4-one is COc1cc2c(=O)n(CC3=CCCCC3)cnc2c(OC)c1OC.
What is the InChIKey of 3-(cyclohexen-1-ylmethyl)-6,7,8-trimethoxyquinazolin-4-one?
The InChIKey is WHOBKYPCNPMCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-22-14-9-13-15(17(24-3)16(14)23-2)19-11-20(18(13)21)10-12-7-5-4-6-8-12/h7,9,11H,4-6,8,10H2,1-3H3.
What are the key properties of 3-(cyclohexen-1-ylmethyl)-6,7,8-trimethoxyquinazolin-4-one?
3-(cyclohexen-1-ylmethyl)-6,7,8-trimethoxyquinazolin-4-one has a molecular weight of 330.38 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-ylmethyl)-6,7,8-trimethoxyquinazolin-4-one is sourced from PubChem (CID 171916483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).