3-(2-methoxyphenyl)-2-phenylquinazolin-4-one

C21H16N2O2 — CID 722875

IUPAC3-(2-methoxyphenyl)-2-phenylquinazolin-4-one
SMILESCOc1ccccc1-n1c(-c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C21H16N2O2/c1-25-19-14-8-7-13-18(19)23-20(15-9-3-2-4-10-15)22-17-12-6-5-11-16(17)21(23)24/h2-14H,1H3
InChIKeySUQHPFPBDKEICZ-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.06
Rot. Bonds3

About 3-(2-methoxyphenyl)-2-phenylquinazolin-4-one

3-(2-methoxyphenyl)-2-phenylquinazolin-4-one (PubChem CID 722875) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-2-phenylquinazolin-4-one.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-2-phenylquinazolin-4-one
PubChem CID722875
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name3-(2-methoxyphenyl)-2-phenylquinazolin-4-one
SMILESCOc1ccccc1-n1c(-c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C21H16N2O2/c1-25-19-14-8-7-13-18(19)23-20(15-9-3-2-4-10-15)22-17-12-6-5-11-16(17)21(23)24/h2-14H,1H3
InChIKeySUQHPFPBDKEICZ-UHFFFAOYSA-N
XLogP4.06
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-2-phenylquinazolin-4-one?
The IUPAC name of 3-(2-methoxyphenyl)-2-phenylquinazolin-4-one (CID 722875) is 3-(2-methoxyphenyl)-2-phenylquinazolin-4-one.
What is the SMILES notation for 3-(2-methoxyphenyl)-2-phenylquinazolin-4-one?
The canonical SMILES for 3-(2-methoxyphenyl)-2-phenylquinazolin-4-one is COc1ccccc1-n1c(-c2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of 3-(2-methoxyphenyl)-2-phenylquinazolin-4-one?
The InChIKey is SUQHPFPBDKEICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c1-25-19-14-8-7-13-18(19)23-20(15-9-3-2-4-10-15)22-17-12-6-5-11-16(17)21(23)24/h2-14H,1H3.
What are the key properties of 3-(2-methoxyphenyl)-2-phenylquinazolin-4-one?
3-(2-methoxyphenyl)-2-phenylquinazolin-4-one has a molecular weight of 328.37 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-2-phenylquinazolin-4-one is sourced from PubChem (CID 722875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).