6-chloro-2-(3-methoxyphenyl)-3H-quinazolin-4-one

C15H11ClN2O2 — CID 135461727

IUPAC6-chloro-2-(3-methoxyphenyl)-3H-quinazolin-4-one
SMILESCOc1cccc(-c2nc3ccc(Cl)cc3c(=O)[nH]2)c1
InChIInChI=1S/C15H11ClN2O2/c1-20-11-4-2-3-9(7-11)14-17-13-6-5-10(16)8-12(13)15(19)18-14/h2-8H,1H3,(H,17,18,19)
InChIKeyGEPNISACABGZJZ-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.25
Rot. Bonds2

About 6-chloro-2-(3-methoxyphenyl)-3H-quinazolin-4-one

6-chloro-2-(3-methoxyphenyl)-3H-quinazolin-4-one (PubChem CID 135461727) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 6-chloro-2-(3-methoxyphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-2-(3-methoxyphenyl)-3H-quinazolin-4-one
PubChem CID135461727
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name6-chloro-2-(3-methoxyphenyl)-3H-quinazolin-4-one
SMILESCOc1cccc(-c2nc3ccc(Cl)cc3c(=O)[nH]2)c1
InChIInChI=1S/C15H11ClN2O2/c1-20-11-4-2-3-9(7-11)14-17-13-6-5-10(16)8-12(13)15(19)18-14/h2-8H,1H3,(H,17,18,19)
InChIKeyGEPNISACABGZJZ-UHFFFAOYSA-N
XLogP3.25
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3-methoxyphenyl)-3H-quinazolin-4-one?
The IUPAC name of 6-chloro-2-(3-methoxyphenyl)-3H-quinazolin-4-one (CID 135461727) is 6-chloro-2-(3-methoxyphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 6-chloro-2-(3-methoxyphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 6-chloro-2-(3-methoxyphenyl)-3H-quinazolin-4-one is COc1cccc(-c2nc3ccc(Cl)cc3c(=O)[nH]2)c1.
What is the InChIKey of 6-chloro-2-(3-methoxyphenyl)-3H-quinazolin-4-one?
The InChIKey is GEPNISACABGZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c1-20-11-4-2-3-9(7-11)14-17-13-6-5-10(16)8-12(13)15(19)18-14/h2-8H,1H3,(H,17,18,19).
What are the key properties of 6-chloro-2-(3-methoxyphenyl)-3H-quinazolin-4-one?
6-chloro-2-(3-methoxyphenyl)-3H-quinazolin-4-one has a molecular weight of 286.72 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3-methoxyphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 135461727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).