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

C22H18N2O2 — CID 711383

IUPAC2-benzyl-3-(3-methoxyphenyl)quinazolin-4-one
SMILESCOc1cccc(-n2c(Cc3ccccc3)nc3ccccc3c2=O)c1
InChIInChI=1S/C22H18N2O2/c1-26-18-11-7-10-17(15-18)24-21(14-16-8-3-2-4-9-16)23-20-13-6-5-12-19(20)22(24)25/h2-13,15H,14H2,1H3
InChIKeyJJDQTAGZEAJQMD-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.99
Rot. Bonds4

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

2-benzyl-3-(3-methoxyphenyl)quinazolin-4-one (PubChem CID 711383) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-benzyl-3-(3-methoxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-benzyl-3-(3-methoxyphenyl)quinazolin-4-one
PubChem CID711383
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name2-benzyl-3-(3-methoxyphenyl)quinazolin-4-one
SMILESCOc1cccc(-n2c(Cc3ccccc3)nc3ccccc3c2=O)c1
InChIInChI=1S/C22H18N2O2/c1-26-18-11-7-10-17(15-18)24-21(14-16-8-3-2-4-9-16)23-20-13-6-5-12-19(20)22(24)25/h2-13,15H,14H2,1H3
InChIKeyJJDQTAGZEAJQMD-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-(3-methoxyphenyl)quinazolin-4-one?
The IUPAC name of 2-benzyl-3-(3-methoxyphenyl)quinazolin-4-one (CID 711383) is 2-benzyl-3-(3-methoxyphenyl)quinazolin-4-one.
What is the SMILES notation for 2-benzyl-3-(3-methoxyphenyl)quinazolin-4-one?
The canonical SMILES for 2-benzyl-3-(3-methoxyphenyl)quinazolin-4-one is COc1cccc(-n2c(Cc3ccccc3)nc3ccccc3c2=O)c1.
What is the InChIKey of 2-benzyl-3-(3-methoxyphenyl)quinazolin-4-one?
The InChIKey is JJDQTAGZEAJQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-26-18-11-7-10-17(15-18)24-21(14-16-8-3-2-4-9-16)23-20-13-6-5-12-19(20)22(24)25/h2-13,15H,14H2,1H3.
What are the key properties of 2-benzyl-3-(3-methoxyphenyl)quinazolin-4-one?
2-benzyl-3-(3-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-(3-methoxyphenyl)quinazolin-4-one is sourced from PubChem (CID 711383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).