2-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one

C22H18N2O4 — CID 2962498

IUPAC2-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1ccccc1N1C(=O)c2ccccc2NC1c1ccc2c(c1)OCO2
InChIInChI=1S/C22H18N2O4/c1-26-18-9-5-4-8-17(18)24-21(14-10-11-19-20(12-14)28-13-27-19)23-16-7-3-2-6-15(16)22(24)25/h2-12,21,23H,13H2,1H3
InChIKeyVZCWFAIFQYWLGD-UHFFFAOYSA-N
MW374.40 g/mol
LogP4.20
Rot. Bonds3

About 2-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one

2-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 2962498) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID2962498
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Name2-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1ccccc1N1C(=O)c2ccccc2NC1c1ccc2c(c1)OCO2
InChIInChI=1S/C22H18N2O4/c1-26-18-9-5-4-8-17(18)24-21(14-10-11-19-20(12-14)28-13-27-19)23-16-7-3-2-6-15(16)22(24)25/h2-12,21,23H,13H2,1H3
InChIKeyVZCWFAIFQYWLGD-UHFFFAOYSA-N
XLogP4.20
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one (CID 2962498) is 2-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one is COc1ccccc1N1C(=O)c2ccccc2NC1c1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is VZCWFAIFQYWLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-26-18-9-5-4-8-17(18)24-21(14-10-11-19-20(12-14)28-13-27-19)23-16-7-3-2-6-15(16)22(24)25/h2-12,21,23H,13H2,1H3.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
2-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 374.40 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 2962498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).