3-(1,3-benzodioxol-5-ylmethyl)-6-methoxyquinazolin-4-one

C17H14N2O4 — CID 39796688

IUPAC3-(1,3-benzodioxol-5-ylmethyl)-6-methoxyquinazolin-4-one
SMILESCOc1ccc2ncn(Cc3ccc4c(c3)OCO4)c(=O)c2c1
InChIInChI=1S/C17H14N2O4/c1-21-12-3-4-14-13(7-12)17(20)19(9-18-14)8-11-2-5-15-16(6-11)23-10-22-15/h2-7,9H,8,10H2,1H3
InChIKeyMGDVPWOZLFHSCW-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.18
Rot. Bonds3

About 3-(1,3-benzodioxol-5-ylmethyl)-6-methoxyquinazolin-4-one

3-(1,3-benzodioxol-5-ylmethyl)-6-methoxyquinazolin-4-one (PubChem CID 39796688) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-ylmethyl)-6-methoxyquinazolin-4-one.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-ylmethyl)-6-methoxyquinazolin-4-one
PubChem CID39796688
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name3-(1,3-benzodioxol-5-ylmethyl)-6-methoxyquinazolin-4-one
SMILESCOc1ccc2ncn(Cc3ccc4c(c3)OCO4)c(=O)c2c1
InChIInChI=1S/C17H14N2O4/c1-21-12-3-4-14-13(7-12)17(20)19(9-18-14)8-11-2-5-15-16(6-11)23-10-22-15/h2-7,9H,8,10H2,1H3
InChIKeyMGDVPWOZLFHSCW-UHFFFAOYSA-N
XLogP2.18
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(1,3-benzodioxol-5-ylmethyl)-6-methoxyquinazolin-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-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinazolin-4-one
CID 166385917
3-[(1,3-benzodioxol-5-ylamino)methyl]-7-methoxyquinazolin-4-one
CID 21004605
3-(2,3-dihydro-1H-inden-5-ylmethyl)-7-methoxyquinazolin-4-one
CID 167915221
6-methoxy-3-[(5-methyl-1H-pyrazol-3-yl)methyl]quinazolin-4-one
CID 39826371
4-[[6-[2-(4-methoxyphenyl)acetyl]oxy-4-oxoquinazolin-3-yl]methyl]benzoic acid
CID 11988626
3-[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-6-methylquinazolin-4-one
CID 52502459
6-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]quinazolin-4-one
CID 39760818
3-(1,3-benzodioxol-5-yl)-6-methoxy-2-methylquinazolin-4-one
CID 42507232
3-(6-methoxy-4-oxoquinazolin-3-yl)propanoic acid
CID 117264158
3-[3-(1,3-benzodioxol-5-yloxy)propyl]quinazolin-4-one
CID 60593195
6-methoxy-3-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one
CID 39820468
2-hydroxy-N-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]acetamide
CID 25158966

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-ylmethyl)-6-methoxyquinazolin-4-one?
The IUPAC name of 3-(1,3-benzodioxol-5-ylmethyl)-6-methoxyquinazolin-4-one (CID 39796688) is 3-(1,3-benzodioxol-5-ylmethyl)-6-methoxyquinazolin-4-one.
What is the SMILES notation for 3-(1,3-benzodioxol-5-ylmethyl)-6-methoxyquinazolin-4-one?
The canonical SMILES for 3-(1,3-benzodioxol-5-ylmethyl)-6-methoxyquinazolin-4-one is COc1ccc2ncn(Cc3ccc4c(c3)OCO4)c(=O)c2c1.
What is the InChIKey of 3-(1,3-benzodioxol-5-ylmethyl)-6-methoxyquinazolin-4-one?
The InChIKey is MGDVPWOZLFHSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-21-12-3-4-14-13(7-12)17(20)19(9-18-14)8-11-2-5-15-16(6-11)23-10-22-15/h2-7,9H,8,10H2,1H3.
What are the key properties of 3-(1,3-benzodioxol-5-ylmethyl)-6-methoxyquinazolin-4-one?
3-(1,3-benzodioxol-5-ylmethyl)-6-methoxyquinazolin-4-one has a molecular weight of 310.31 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-ylmethyl)-6-methoxyquinazolin-4-one is sourced from PubChem (CID 39796688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).