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

C20H13ClN2O2 — CID 919835

IUPAC2-(2-chlorophenyl)-3-(3-hydroxyphenyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2Cl)n1-c1cccc(O)c1
InChIInChI=1S/C20H13ClN2O2/c21-17-10-3-1-8-15(17)19-22-18-11-4-2-9-16(18)20(25)23(19)13-6-5-7-14(24)12-13/h1-12,24H
InChIKeyOACLREPQKGGQNB-UHFFFAOYSA-N
MW348.79 g/mol
LogP4.41
Rot. Bonds2

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

2-(2-chlorophenyl)-3-(3-hydroxyphenyl)quinazolin-4-one (PubChem CID 919835) has the molecular formula C20H13ClN2O2 and a molecular weight of 348.79 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-(3-hydroxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-(3-hydroxyphenyl)quinazolin-4-one
PubChem CID919835
Molecular FormulaC20H13ClN2O2
Molecular Weight348.79 g/mol
Exact Mass348.07
IUPAC Name2-(2-chlorophenyl)-3-(3-hydroxyphenyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2Cl)n1-c1cccc(O)c1
InChIInChI=1S/C20H13ClN2O2/c21-17-10-3-1-8-15(17)19-22-18-11-4-2-9-16(18)20(25)23(19)13-6-5-7-14(24)12-13/h1-12,24H
InChIKeyOACLREPQKGGQNB-UHFFFAOYSA-N
XLogP4.41
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-(3-hydroxyphenyl)quinazolin-4-one?
The IUPAC name of 2-(2-chlorophenyl)-3-(3-hydroxyphenyl)quinazolin-4-one (CID 919835) is 2-(2-chlorophenyl)-3-(3-hydroxyphenyl)quinazolin-4-one.
What is the SMILES notation for 2-(2-chlorophenyl)-3-(3-hydroxyphenyl)quinazolin-4-one?
The canonical SMILES for 2-(2-chlorophenyl)-3-(3-hydroxyphenyl)quinazolin-4-one is O=c1c2ccccc2nc(-c2ccccc2Cl)n1-c1cccc(O)c1.
What is the InChIKey of 2-(2-chlorophenyl)-3-(3-hydroxyphenyl)quinazolin-4-one?
The InChIKey is OACLREPQKGGQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2O2/c21-17-10-3-1-8-15(17)19-22-18-11-4-2-9-16(18)20(25)23(19)13-6-5-7-14(24)12-13/h1-12,24H.
What are the key properties of 2-(2-chlorophenyl)-3-(3-hydroxyphenyl)quinazolin-4-one?
2-(2-chlorophenyl)-3-(3-hydroxyphenyl)quinazolin-4-one has a molecular weight of 348.79 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-(3-hydroxyphenyl)quinazolin-4-one is sourced from PubChem (CID 919835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).