2-(4-methoxyphenyl)-3-(1,3-thiazol-2-yl)quinazolin-4-one

C18H13N3O2S — CID 929297

IUPAC2-(4-methoxyphenyl)-3-(1,3-thiazol-2-yl)quinazolin-4-one
SMILESCOc1ccc(-c2nc3ccccc3c(=O)n2-c2nccs2)cc1
InChIInChI=1S/C18H13N3O2S/c1-23-13-8-6-12(7-9-13)16-20-15-5-3-2-4-14(15)17(22)21(16)18-19-10-11-24-18/h2-11H,1H3
InChIKeyPWOSSTGJSCERQZ-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.52
Rot. Bonds3

About 2-(4-methoxyphenyl)-3-(1,3-thiazol-2-yl)quinazolin-4-one

2-(4-methoxyphenyl)-3-(1,3-thiazol-2-yl)quinazolin-4-one (PubChem CID 929297) has the molecular formula C18H13N3O2S and a molecular weight of 335.39 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-(1,3-thiazol-2-yl)quinazolin-4-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-(1,3-thiazol-2-yl)quinazolin-4-one
PubChem CID929297
Molecular FormulaC18H13N3O2S
Molecular Weight335.39 g/mol
Exact Mass335.07
IUPAC Name2-(4-methoxyphenyl)-3-(1,3-thiazol-2-yl)quinazolin-4-one
SMILESCOc1ccc(-c2nc3ccccc3c(=O)n2-c2nccs2)cc1
InChIInChI=1S/C18H13N3O2S/c1-23-13-8-6-12(7-9-13)16-20-15-5-3-2-4-14(15)17(22)21(16)18-19-10-11-24-18/h2-11H,1H3
InChIKeyPWOSSTGJSCERQZ-UHFFFAOYSA-N
XLogP3.52
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 721308
2-(Furan-2-yl)-3-(1,3-thiazol-2-yl)quinazolin-4-one
CID 829492
2-[(2-phenoxyacetyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 2936872
3-(3-Imidazol-1-ylpropyl)-2-(4-methoxyphenyl)quinazolin-4-one
CID 648284
2-[(2,3-dimethoxybenzylidene)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 1204155
4-methoxy-N-methyl-N-(4-(pyridin-4-yl)thiazol-2-yl)benzamide
CID 45486781
N-[4-(4-Methoxy-phenyl)-thiazol-2-yl]-2-(4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetamide
CID 135516083
4-Methoxy-N-[4-(4-pyridinyl)-1,3-thiazol-2-yl]benzamide
CID 4088242
4(3H)-Quinazolinone, 2-((o-chlorophenoxy)methyl)-3-(2-thiazolyl)-
CID 63157
4(3H)-Quinazolinone, 2-((4-methylphenyl)methoxy)-3-(2-thiazolyl)-
CID 63297
4(3H)-Quinazolinone, 2-((4-methoxyphenyl)methoxy)-3-(2-thiazolyl)-
CID 63637
4(3H)-Quinazolinone, 2-((o-methoxyphenoxy)methyl)-3-(2-thiazolyl)-
CID 63837

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-(1,3-thiazol-2-yl)quinazolin-4-one?
The IUPAC name of 2-(4-methoxyphenyl)-3-(1,3-thiazol-2-yl)quinazolin-4-one (CID 929297) is 2-(4-methoxyphenyl)-3-(1,3-thiazol-2-yl)quinazolin-4-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-(1,3-thiazol-2-yl)quinazolin-4-one?
The canonical SMILES for 2-(4-methoxyphenyl)-3-(1,3-thiazol-2-yl)quinazolin-4-one is COc1ccc(-c2nc3ccccc3c(=O)n2-c2nccs2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-(1,3-thiazol-2-yl)quinazolin-4-one?
The InChIKey is PWOSSTGJSCERQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2S/c1-23-13-8-6-12(7-9-13)16-20-15-5-3-2-4-14(15)17(22)21(16)18-19-10-11-24-18/h2-11H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-3-(1,3-thiazol-2-yl)quinazolin-4-one?
2-(4-methoxyphenyl)-3-(1,3-thiazol-2-yl)quinazolin-4-one has a molecular weight of 335.39 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-(1,3-thiazol-2-yl)quinazolin-4-one is sourced from PubChem (CID 929297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).