3-(1,3-benzodioxol-5-yl)-6,7-dimethoxyquinazolin-4-one

C17H14N2O5 — CID 7749326

IUPAC3-(1,3-benzodioxol-5-yl)-6,7-dimethoxyquinazolin-4-one
SMILESCOc1cc2ncn(-c3ccc4c(c3)OCO4)c(=O)c2cc1OC
InChIInChI=1S/C17H14N2O5/c1-21-14-6-11-12(7-15(14)22-2)18-8-19(17(11)20)10-3-4-13-16(5-10)24-9-23-13/h3-8H,9H2,1-2H3
InChIKeyYIFOIBAFNUPOQX-UHFFFAOYSA-N
MW326.31 g/mol
LogP2.13
Rot. Bonds3

About 3-(1,3-benzodioxol-5-yl)-6,7-dimethoxyquinazolin-4-one

3-(1,3-benzodioxol-5-yl)-6,7-dimethoxyquinazolin-4-one (PubChem CID 7749326) has the molecular formula C17H14N2O5 and a molecular weight of 326.31 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-6,7-dimethoxyquinazolin-4-one.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-6,7-dimethoxyquinazolin-4-one
PubChem CID7749326
Molecular FormulaC17H14N2O5
Molecular Weight326.31 g/mol
Exact Mass326.09
IUPAC Name3-(1,3-benzodioxol-5-yl)-6,7-dimethoxyquinazolin-4-one
SMILESCOc1cc2ncn(-c3ccc4c(c3)OCO4)c(=O)c2cc1OC
InChIInChI=1S/C17H14N2O5/c1-21-14-6-11-12(7-15(14)22-2)18-8-19(17(11)20)10-3-4-13-16(5-10)24-9-23-13/h3-8H,9H2,1-2H3
InChIKeyYIFOIBAFNUPOQX-UHFFFAOYSA-N
XLogP2.13
TPSA71.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(1,3-benzodioxol-5-yl)-6,7-dimethoxyquinazolin-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-dimethoxy-3-(4-methoxyphenyl)quinazolin-4-one
CID 118722445
methyl 3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)benzoate
CID 7749347
3-(1,3-benzodioxol-5-yl)-6-methoxy-2-methylquinazolin-4-one
CID 42507232
6-methoxy-3-(4-methoxyphenyl)quinazolin-4-one
CID 127038187
3-(1,3-benzodioxol-5-ylmethyl)-6-methoxyquinazolin-4-one
CID 39796688
3-(3-chloro-4-methoxyphenyl)-6,7,8-trimethoxyquinazolin-4-one
CID 171909660
3-[(1,3-benzodioxol-5-ylamino)methyl]-7-methoxyquinazolin-4-one
CID 21004605
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6,7-dimethoxyquinazoline
CID 21002962
[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 134836093
4-(4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
CID 24512913
2-(1,3-benzodioxol-5-yl)-6-ethoxybenzotriazol-5-amine
CID 91684222
2-(1,3-benzodioxol-5-yl)-4-methoxy-1,3-dimethylcyclohepta[c]pyrrol-8-one
CID 906517

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-6,7-dimethoxyquinazolin-4-one?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-6,7-dimethoxyquinazolin-4-one (CID 7749326) is 3-(1,3-benzodioxol-5-yl)-6,7-dimethoxyquinazolin-4-one.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-6,7-dimethoxyquinazolin-4-one?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-6,7-dimethoxyquinazolin-4-one is COc1cc2ncn(-c3ccc4c(c3)OCO4)c(=O)c2cc1OC.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-6,7-dimethoxyquinazolin-4-one?
The InChIKey is YIFOIBAFNUPOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5/c1-21-14-6-11-12(7-15(14)22-2)18-8-19(17(11)20)10-3-4-13-16(5-10)24-9-23-13/h3-8H,9H2,1-2H3.
What are the key properties of 3-(1,3-benzodioxol-5-yl)-6,7-dimethoxyquinazolin-4-one?
3-(1,3-benzodioxol-5-yl)-6,7-dimethoxyquinazolin-4-one has a molecular weight of 326.31 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-6,7-dimethoxyquinazolin-4-one is sourced from PubChem (CID 7749326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).