2-benzyl-3-(2-methoxyphenyl)quinazolin-4-one

C22H18N2O2 — CID 910683

IUPAC2-benzyl-3-(2-methoxyphenyl)quinazolin-4-one
SMILESCOc1ccccc1-n1c(Cc2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C22H18N2O2/c1-26-20-14-8-7-13-19(20)24-21(15-16-9-3-2-4-10-16)23-18-12-6-5-11-17(18)22(24)25/h2-14H,15H2,1H3
InChIKeyCLVLOCIWWSXMEW-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.99
Rot. Bonds4

About 2-benzyl-3-(2-methoxyphenyl)quinazolin-4-one

2-benzyl-3-(2-methoxyphenyl)quinazolin-4-one (PubChem CID 910683) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-benzyl-3-(2-methoxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-benzyl-3-(2-methoxyphenyl)quinazolin-4-one
PubChem CID910683
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name2-benzyl-3-(2-methoxyphenyl)quinazolin-4-one
SMILESCOc1ccccc1-n1c(Cc2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C22H18N2O2/c1-26-20-14-8-7-13-19(20)24-21(15-16-9-3-2-4-10-16)23-18-12-6-5-11-17(18)22(24)25/h2-14H,15H2,1H3
InChIKeyCLVLOCIWWSXMEW-UHFFFAOYSA-N
XLogP3.99
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(2-methoxyphenyl)quinazolin-4-one?
The IUPAC name of 2-benzyl-3-(2-methoxyphenyl)quinazolin-4-one (CID 910683) is 2-benzyl-3-(2-methoxyphenyl)quinazolin-4-one.
What is the SMILES notation for 2-benzyl-3-(2-methoxyphenyl)quinazolin-4-one?
The canonical SMILES for 2-benzyl-3-(2-methoxyphenyl)quinazolin-4-one is COc1ccccc1-n1c(Cc2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of 2-benzyl-3-(2-methoxyphenyl)quinazolin-4-one?
The InChIKey is CLVLOCIWWSXMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-26-20-14-8-7-13-19(20)24-21(15-16-9-3-2-4-10-16)23-18-12-6-5-11-17(18)22(24)25/h2-14H,15H2,1H3.
What are the key properties of 2-benzyl-3-(2-methoxyphenyl)quinazolin-4-one?
2-benzyl-3-(2-methoxyphenyl)quinazolin-4-one has a molecular weight of 342.40 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(2-methoxyphenyl)quinazolin-4-one is sourced from PubChem (CID 910683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).