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

C18H12FN3OS — CID 17422520

IUPAC7-fluoro-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]quinazolin-4-one
SMILESO=c1c2ccc(F)cc2ncn1Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C18H12FN3OS/c19-13-6-7-15-16(8-13)20-11-22(18(15)23)9-14-10-24-17(21-14)12-4-2-1-3-5-12/h1-8,10-11H,9H2
InChIKeyRNMVKOQIBBRUSZ-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.71
Rot. Bonds3

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

7-fluoro-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]quinazolin-4-one (PubChem CID 17422520) has the molecular formula C18H12FN3OS and a molecular weight of 337.38 g/mol. Its IUPAC name is 7-fluoro-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name7-fluoro-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]quinazolin-4-one
PubChem CID17422520
Molecular FormulaC18H12FN3OS
Molecular Weight337.38 g/mol
Exact Mass337.07
IUPAC Name7-fluoro-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]quinazolin-4-one
SMILESO=c1c2ccc(F)cc2ncn1Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C18H12FN3OS/c19-13-6-7-15-16(8-13)20-11-22(18(15)23)9-14-10-24-17(21-14)12-4-2-1-3-5-12/h1-8,10-11H,9H2
InChIKeyRNMVKOQIBBRUSZ-UHFFFAOYSA-N
XLogP3.71
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-fluoro-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]quinazolin-4-one?
The IUPAC name of 7-fluoro-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]quinazolin-4-one (CID 17422520) is 7-fluoro-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]quinazolin-4-one.
What is the SMILES notation for 7-fluoro-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]quinazolin-4-one?
The canonical SMILES for 7-fluoro-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]quinazolin-4-one is O=c1c2ccc(F)cc2ncn1Cc1csc(-c2ccccc2)n1.
What is the InChIKey of 7-fluoro-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]quinazolin-4-one?
The InChIKey is RNMVKOQIBBRUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3OS/c19-13-6-7-15-16(8-13)20-11-22(18(15)23)9-14-10-24-17(21-14)12-4-2-1-3-5-12/h1-8,10-11H,9H2.
What are the key properties of 7-fluoro-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]quinazolin-4-one?
7-fluoro-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]quinazolin-4-one has a molecular weight of 337.38 g/mol, XLogP of 3.71, 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-phenyl-1,3-thiazol-4-yl)methyl]quinazolin-4-one is sourced from PubChem (CID 17422520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).