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

C15H11ClN2O2 — CID 135604698

IUPAC6-chloro-2-(4-methoxyphenyl)-3H-quinazolin-4-one
SMILESCOc1ccc(-c2nc3ccc(Cl)cc3c(=O)[nH]2)cc1
InChIInChI=1S/C15H11ClN2O2/c1-20-11-5-2-9(3-6-11)14-17-13-7-4-10(16)8-12(13)15(19)18-14/h2-8H,1H3,(H,17,18,19)
InChIKeyUGCVXMKGKAYQJG-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.25
Rot. Bonds2

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

6-chloro-2-(4-methoxyphenyl)-3H-quinazolin-4-one (PubChem CID 135604698) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 6-chloro-2-(4-methoxyphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-2-(4-methoxyphenyl)-3H-quinazolin-4-one
PubChem CID135604698
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name6-chloro-2-(4-methoxyphenyl)-3H-quinazolin-4-one
SMILESCOc1ccc(-c2nc3ccc(Cl)cc3c(=O)[nH]2)cc1
InChIInChI=1S/C15H11ClN2O2/c1-20-11-5-2-9(3-6-11)14-17-13-7-4-10(16)8-12(13)15(19)18-14/h2-8H,1H3,(H,17,18,19)
InChIKeyUGCVXMKGKAYQJG-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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Related Compounds

2-(4-Methoxyphenyl)quinazolin-4-ol
CID 135430309
6-Methoxy-2-phenyl-3,4-dihydroquinazolin-4-one
CID 135539400
2-(4-Methoxy-phenyl)-8-methyl-3H-quinazolin-4-one
CID 135407310
2-(4-ethoxyphenyl)-3H-quinazolin-4-one
CID 135567247
8-chloro-2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-3-methylquinazolin-4(3H)-one
CID 11618702
3-hydroxy-2-(4-methoxyphenyl)-4(3H)-quinazolinone
CID 1487338
2-(3,4-dimethoxyphenyl)-3H-quinazolin-4-one
CID 135484663
2-(2-ethoxyphenyl)-4-(3H)-quinazolone
CID 136006573
2-(3-methoxyphenyl)quinazolin-4(3H)-one
CID 135486399
7-chloro-3-hydroxy-2-(2-methoxyphenyl)-4(3H)-quinazolinone
CID 3756203
3-amino-2-(4-methoxyphenyl)quinazolin-4(3H)-one
CID 805109
2-(4-Methoxyphenyl)-8-methoxyquinazoline-4(3H)-one
CID 135417258

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-methoxyphenyl)-3H-quinazolin-4-one?
The IUPAC name of 6-chloro-2-(4-methoxyphenyl)-3H-quinazolin-4-one (CID 135604698) is 6-chloro-2-(4-methoxyphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 6-chloro-2-(4-methoxyphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 6-chloro-2-(4-methoxyphenyl)-3H-quinazolin-4-one is COc1ccc(-c2nc3ccc(Cl)cc3c(=O)[nH]2)cc1.
What is the InChIKey of 6-chloro-2-(4-methoxyphenyl)-3H-quinazolin-4-one?
The InChIKey is UGCVXMKGKAYQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c1-20-11-5-2-9(3-6-11)14-17-13-7-4-10(16)8-12(13)15(19)18-14/h2-8H,1H3,(H,17,18,19).
What are the key properties of 6-chloro-2-(4-methoxyphenyl)-3H-quinazolin-4-one?
6-chloro-2-(4-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-(4-methoxyphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 135604698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).