2-(1,3-benzodioxol-5-yl)-3H-quinazolin-4-one

C15H10N2O3 — CID 135448518

IUPAC2-(1,3-benzodioxol-5-yl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccc3c(c2)OCO3)nc2ccccc12
InChIInChI=1S/C15H10N2O3/c18-15-10-3-1-2-4-11(10)16-14(17-15)9-5-6-12-13(7-9)20-8-19-12/h1-7H,8H2,(H,16,17,18)
InChIKeyJDCPQGXAZCZLPD-UHFFFAOYSA-N
MW266.26 g/mol
LogP2.32
Rot. Bonds1

About 2-(1,3-benzodioxol-5-yl)-3H-quinazolin-4-one

2-(1,3-benzodioxol-5-yl)-3H-quinazolin-4-one (PubChem CID 135448518) has the molecular formula C15H10N2O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-3H-quinazolin-4-one
PubChem CID135448518
Molecular FormulaC15H10N2O3
Molecular Weight266.26 g/mol
Exact Mass266.07
IUPAC Name2-(1,3-benzodioxol-5-yl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccc3c(c2)OCO3)nc2ccccc12
InChIInChI=1S/C15H10N2O3/c18-15-10-3-1-2-4-11(10)16-14(17-15)9-5-6-12-13(7-9)20-8-19-12/h1-7H,8H2,(H,16,17,18)
InChIKeyJDCPQGXAZCZLPD-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

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Related Compounds

2-(4-Methoxyphenyl)quinazolin-4-ol
CID 135430309
2-(3-hydroxy-4-methoxyphenyl)-3H-quinazolin-4-one
CID 136044076
2-(3-ethoxy-4-hydroxyphenyl)-3H-quinazolin-4-one
CID 136044078
6-Methoxy-2-phenyl-3,4-dihydroquinazolin-4-one
CID 135539400
2-(4-Methoxy-phenyl)-8-methyl-3H-quinazolin-4-one
CID 135407310
2-(4-ethoxyphenyl)-3H-quinazolin-4-one
CID 135567247
N-(2-carbamoylphenyl)-1,3-benzodioxole-5-carboxamide
CID 803518
N-[2-(tert-butylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 847830
2-(3,4-dimethoxyphenyl)-3H-quinazolin-4-one
CID 135484663
2-(1,3-Benzodioxol-5-yl)quinolin-4(1H)-one
CID 10901503
2-[(E)-2-[4-(difluoromethoxy)-3-methoxyphenyl]ethenyl]-1H-quinazolin-4-one
CID 135681157
2-{[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]methyl}-4-quinazolinol
CID 135399475

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-3H-quinazolin-4-one?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-3H-quinazolin-4-one (CID 135448518) is 2-(1,3-benzodioxol-5-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-3H-quinazolin-4-one is O=c1[nH]c(-c2ccc3c(c2)OCO3)nc2ccccc12.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-3H-quinazolin-4-one?
The InChIKey is JDCPQGXAZCZLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O3/c18-15-10-3-1-2-4-11(10)16-14(17-15)9-5-6-12-13(7-9)20-8-19-12/h1-7H,8H2,(H,16,17,18).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-3H-quinazolin-4-one?
2-(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 2-(1,3-benzodioxol-5-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 135448518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).