6-(1,3-benzodioxol-5-yl)-3H-quinazolin-4-one

C15H10N2O3 — CID 135858724

IUPAC6-(1,3-benzodioxol-5-yl)-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2ccc(-c3ccc4c(c3)OCO4)cc12
InChIInChI=1S/C15H10N2O3/c18-15-11-5-9(1-3-12(11)16-7-17-15)10-2-4-13-14(6-10)20-8-19-13/h1-7H,8H2,(H,16,17,18)
InChIKeyTUSLADQZVAPPKX-UHFFFAOYSA-N
MW266.26 g/mol
LogP2.32
Rot. Bonds1

About 6-(1,3-benzodioxol-5-yl)-3H-quinazolin-4-one

6-(1,3-benzodioxol-5-yl)-3H-quinazolin-4-one (PubChem CID 135858724) has the molecular formula C15H10N2O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-(1,3-benzodioxol-5-yl)-3H-quinazolin-4-one
PubChem CID135858724
Molecular FormulaC15H10N2O3
Molecular Weight266.26 g/mol
Exact Mass266.07
IUPAC Name6-(1,3-benzodioxol-5-yl)-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2ccc(-c3ccc4c(c3)OCO4)cc12
InChIInChI=1S/C15H10N2O3/c18-15-11-5-9(1-3-12(11)16-7-17-15)10-2-4-13-14(6-10)20-8-19-13/h1-7H,8H2,(H,16,17,18)
InChIKeyTUSLADQZVAPPKX-UHFFFAOYSA-N
XLogP2.32
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(1,3-benzodioxol-5-yl)-3H-quinazolin-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-phenyl-3H-quinazolin-4-one
CID 135741302
6-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-quinazolin-4-one
CID 135755223
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136692107
3-(1,3-benzodioxol-5-yl)-4,7-phenanthroline
CID 71482313
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-1H-pyrimidin-6-one
CID 136692126
6-(1,3-benzodioxol-5-yl)-7H-purine
CID 119064876
N-(3H-benzimidazol-5-yl)-N-methyl-1,3-benzodioxole-5-sulfonamide
CID 110869241
2-[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]acetic acid
CID 91665266
5-(1,3-benzodioxol-5-yl)pyrimidin-2-amine
CID 122200432
3,6-dihydropyrimido[5,4-g][1,4]benzoxazine-4,7-dione
CID 140823667
ethane;6-ethyl-3H-quinazolin-4-one
CID 143716071
5-(1,3-benzodioxol-5-yl)-2,3-dihydroinden-1-one
CID 11242192

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-5-yl)-3H-quinazolin-4-one?
The IUPAC name of 6-(1,3-benzodioxol-5-yl)-3H-quinazolin-4-one (CID 135858724) is 6-(1,3-benzodioxol-5-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 6-(1,3-benzodioxol-5-yl)-3H-quinazolin-4-one?
The canonical SMILES for 6-(1,3-benzodioxol-5-yl)-3H-quinazolin-4-one is O=c1[nH]cnc2ccc(-c3ccc4c(c3)OCO4)cc12.
What is the InChIKey of 6-(1,3-benzodioxol-5-yl)-3H-quinazolin-4-one?
The InChIKey is TUSLADQZVAPPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O3/c18-15-11-5-9(1-3-12(11)16-7-17-15)10-2-4-13-14(6-10)20-8-19-13/h1-7H,8H2,(H,16,17,18).
What are the key properties of 6-(1,3-benzodioxol-5-yl)-3H-quinazolin-4-one?
6-(1,3-benzodioxol-5-yl)-3H-quinazolin-4-one has a molecular weight of 266.26 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzodioxol-5-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 135858724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).