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

C15H12N2O3 — CID 650393

IUPAC2-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1NC(c2ccc3c(c2)OCO3)Nc2ccccc21
InChIInChI=1S/C15H12N2O3/c18-15-10-3-1-2-4-11(10)16-14(17-15)9-5-6-12-13(7-9)20-8-19-12/h1-7,14,16H,8H2,(H,17,18)
InChIKeyOLCOKGUYNHCXJC-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.27
Rot. Bonds1

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

2-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 650393) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-quinazolin-4-one
PubChem CID650393
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name2-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1NC(c2ccc3c(c2)OCO3)Nc2ccccc21
InChIInChI=1S/C15H12N2O3/c18-15-10-3-1-2-4-11(10)16-14(17-15)9-5-6-12-13(7-9)20-8-19-12/h1-7,14,16H,8H2,(H,17,18)
InChIKeyOLCOKGUYNHCXJC-UHFFFAOYSA-N
XLogP2.27
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-quinazolin-4-one (CID 650393) is 2-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-quinazolin-4-one is O=C1NC(c2ccc3c(c2)OCO3)Nc2ccccc21.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is OLCOKGUYNHCXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c18-15-10-3-1-2-4-11(10)16-14(17-15)9-5-6-12-13(7-9)20-8-19-12/h1-7,14,16H,8H2,(H,17,18).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-quinazolin-4-one?
2-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 268.27 g/mol, XLogP of 2.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 650393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).