7-fluoro-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one

C19H14FN3OS — CID 17422905

IUPAC7-fluoro-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one
SMILESCc1ccc(-c2nc(Cn3cnc4cc(F)ccc4c3=O)cs2)cc1
InChIInChI=1S/C19H14FN3OS/c1-12-2-4-13(5-3-12)18-22-15(10-25-18)9-23-11-21-17-8-14(20)6-7-16(17)19(23)24/h2-8,10-11H,9H2,1H3
InChIKeyFPTYLAXLEOOSFH-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.02
Rot. Bonds3

About 7-fluoro-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one

7-fluoro-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one (PubChem CID 17422905) has the molecular formula C19H14FN3OS and a molecular weight of 351.41 g/mol. Its IUPAC name is 7-fluoro-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name7-fluoro-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one
PubChem CID17422905
Molecular FormulaC19H14FN3OS
Molecular Weight351.41 g/mol
Exact Mass351.08
IUPAC Name7-fluoro-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one
SMILESCc1ccc(-c2nc(Cn3cnc4cc(F)ccc4c3=O)cs2)cc1
InChIInChI=1S/C19H14FN3OS/c1-12-2-4-13(5-3-12)18-22-15(10-25-18)9-23-11-21-17-8-14(20)6-7-16(17)19(23)24/h2-8,10-11H,9H2,1H3
InChIKeyFPTYLAXLEOOSFH-UHFFFAOYSA-N
XLogP4.02
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one?
The IUPAC name of 7-fluoro-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one (CID 17422905) is 7-fluoro-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one.
What is the SMILES notation for 7-fluoro-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one?
The canonical SMILES for 7-fluoro-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one is Cc1ccc(-c2nc(Cn3cnc4cc(F)ccc4c3=O)cs2)cc1.
What is the InChIKey of 7-fluoro-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one?
The InChIKey is FPTYLAXLEOOSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3OS/c1-12-2-4-13(5-3-12)18-22-15(10-25-18)9-23-11-21-17-8-14(20)6-7-16(17)19(23)24/h2-8,10-11H,9H2,1H3.
What are the key properties of 7-fluoro-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one?
7-fluoro-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one has a molecular weight of 351.41 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one is sourced from PubChem (CID 17422905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).