6-(1,3-thiazol-2-yloxy)-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-4-one

C18H10F3N3O2S — CID 58439323

IUPAC6-(1,3-thiazol-2-yloxy)-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-4-one
SMILESO=c1ncn(Cc2c(F)cc(F)cc2F)c2ccc(Oc3nccs3)cc12
InChIInChI=1S/C18H10F3N3O2S/c19-10-5-14(20)13(15(21)6-10)8-24-9-23-17(25)12-7-11(1-2-16(12)24)26-18-22-3-4-27-18/h1-7,9H,8H2
InChIKeyIFBOAPIDOUJKGW-UHFFFAOYSA-N
MW389.36 g/mol
LogP4.11
Rot. Bonds4

About 6-(1,3-thiazol-2-yloxy)-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-4-one

6-(1,3-thiazol-2-yloxy)-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-4-one (PubChem CID 58439323) has the molecular formula C18H10F3N3O2S and a molecular weight of 389.36 g/mol. Its IUPAC name is 6-(1,3-thiazol-2-yloxy)-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name6-(1,3-thiazol-2-yloxy)-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-4-one
PubChem CID58439323
Molecular FormulaC18H10F3N3O2S
Molecular Weight389.36 g/mol
Exact Mass389.04
IUPAC Name6-(1,3-thiazol-2-yloxy)-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-4-one
SMILESO=c1ncn(Cc2c(F)cc(F)cc2F)c2ccc(Oc3nccs3)cc12
InChIInChI=1S/C18H10F3N3O2S/c19-10-5-14(20)13(15(21)6-10)8-24-9-23-17(25)12-7-11(1-2-16(12)24)26-18-22-3-4-27-18/h1-7,9H,8H2
InChIKeyIFBOAPIDOUJKGW-UHFFFAOYSA-N
XLogP4.11
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(1,3-thiazol-2-yloxy)-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-4-one with MolForge

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Related Compounds

6-pyridin-3-yloxy-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-4-one
CID 58439222
6-[(5-amino-2-pyridinyl)oxy]-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-4-one
CID 58439521
6-[[2-(trifluoromethyl)-3-pyridinyl]oxy]-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-4-one
CID 71713341
6-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxypyridine-3-carbaldehyde
CID 58439664
6-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxypyridine-3-carboxylic acid
CID 58439464
6-[[5-[2-(1,3-benzothiazol-6-yl)ethyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-4-one
CID 58439380
3-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxy-2-(trifluoromethyl)benzamide
CID 71581438
2-fluoro-5-(triazol-2-ylmethyl)-3-(trifluoromethyl)pyridine;6-hydroxy-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-4-one;6-[[5-(triazol-2-ylmethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-4-one
CID 158618148
ethyl (E)-3-[6-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxy-5-(trifluoromethyl)-3-pyridinyl]prop-2-enoate
CID 58439720
2-ethylaniline;4-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxycyclohexane-1-carboxylic acid
CID 123680773
ethyl 4-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxycyclohexane-1-carboxylate;N-methoxy-N-methyl-4-[4-oxo-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-6-yl]oxycyclohexane-1-carboxamide
CID 161045499
benzyl 2-[1-[(2,4-difluoro-6-methylphenyl)methyl]-4-oxoquinazolin-6-yl]oxy-3-(trifluoromethyl)benzoate
CID 123907237

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-thiazol-2-yloxy)-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-4-one?
The IUPAC name of 6-(1,3-thiazol-2-yloxy)-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-4-one (CID 58439323) is 6-(1,3-thiazol-2-yloxy)-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-4-one.
What is the SMILES notation for 6-(1,3-thiazol-2-yloxy)-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-4-one?
The canonical SMILES for 6-(1,3-thiazol-2-yloxy)-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-4-one is O=c1ncn(Cc2c(F)cc(F)cc2F)c2ccc(Oc3nccs3)cc12.
What is the InChIKey of 6-(1,3-thiazol-2-yloxy)-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-4-one?
The InChIKey is IFBOAPIDOUJKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F3N3O2S/c19-10-5-14(20)13(15(21)6-10)8-24-9-23-17(25)12-7-11(1-2-16(12)24)26-18-22-3-4-27-18/h1-7,9H,8H2.
What are the key properties of 6-(1,3-thiazol-2-yloxy)-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-4-one?
6-(1,3-thiazol-2-yloxy)-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-4-one has a molecular weight of 389.36 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-thiazol-2-yloxy)-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-4-one is sourced from PubChem (CID 58439323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).