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

C21H15ClN2O2 — CID 1340979

IUPAC2-(2-chlorophenyl)-3-(2-methoxyphenyl)quinazolin-4-one
SMILESCOc1ccccc1-n1c(-c2ccccc2Cl)nc2ccccc2c1=O
InChIInChI=1S/C21H15ClN2O2/c1-26-19-13-7-6-12-18(19)24-20(14-8-2-4-10-16(14)22)23-17-11-5-3-9-15(17)21(24)25/h2-13H,1H3
InChIKeyXAWFSGPVKVDTED-UHFFFAOYSA-N
MW362.82 g/mol
LogP4.71
Rot. Bonds3

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

2-(2-chlorophenyl)-3-(2-methoxyphenyl)quinazolin-4-one (PubChem CID 1340979) has the molecular formula C21H15ClN2O2 and a molecular weight of 362.82 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-(2-methoxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-(2-methoxyphenyl)quinazolin-4-one
PubChem CID1340979
Molecular FormulaC21H15ClN2O2
Molecular Weight362.82 g/mol
Exact Mass362.08
IUPAC Name2-(2-chlorophenyl)-3-(2-methoxyphenyl)quinazolin-4-one
SMILESCOc1ccccc1-n1c(-c2ccccc2Cl)nc2ccccc2c1=O
InChIInChI=1S/C21H15ClN2O2/c1-26-19-13-7-6-12-18(19)24-20(14-8-2-4-10-16(14)22)23-17-11-5-3-9-15(17)21(24)25/h2-13H,1H3
InChIKeyXAWFSGPVKVDTED-UHFFFAOYSA-N
XLogP4.71
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-(2-methoxyphenyl)quinazolin-4-one?
The IUPAC name of 2-(2-chlorophenyl)-3-(2-methoxyphenyl)quinazolin-4-one (CID 1340979) is 2-(2-chlorophenyl)-3-(2-methoxyphenyl)quinazolin-4-one.
What is the SMILES notation for 2-(2-chlorophenyl)-3-(2-methoxyphenyl)quinazolin-4-one?
The canonical SMILES for 2-(2-chlorophenyl)-3-(2-methoxyphenyl)quinazolin-4-one is COc1ccccc1-n1c(-c2ccccc2Cl)nc2ccccc2c1=O.
What is the InChIKey of 2-(2-chlorophenyl)-3-(2-methoxyphenyl)quinazolin-4-one?
The InChIKey is XAWFSGPVKVDTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O2/c1-26-19-13-7-6-12-18(19)24-20(14-8-2-4-10-16(14)22)23-17-11-5-3-9-15(17)21(24)25/h2-13H,1H3.
What are the key properties of 2-(2-chlorophenyl)-3-(2-methoxyphenyl)quinazolin-4-one?
2-(2-chlorophenyl)-3-(2-methoxyphenyl)quinazolin-4-one has a molecular weight of 362.82 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-(2-methoxyphenyl)quinazolin-4-one is sourced from PubChem (CID 1340979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).