2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]acetamide

C19H12F2N4O2S — CID 30840666

IUPAC2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(Cn1cnc2ccc(F)cc2c1=O)Nc1nc(-c2cccc(F)c2)cs1
InChIInChI=1S/C19H12F2N4O2S/c20-12-3-1-2-11(6-12)16-9-28-19(23-16)24-17(26)8-25-10-22-15-5-4-13(21)7-14(15)18(25)27/h1-7,9-10H,8H2,(H,23,24,26)
InChIKeyQYYGIXMGZXTTEG-UHFFFAOYSA-N
MW398.39 g/mol
LogP3.44
Rot. Bonds4

About 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]acetamide

2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 30840666) has the molecular formula C19H12F2N4O2S and a molecular weight of 398.39 g/mol. Its IUPAC name is 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID30840666
Molecular FormulaC19H12F2N4O2S
Molecular Weight398.39 g/mol
Exact Mass398.06
IUPAC Name2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(Cn1cnc2ccc(F)cc2c1=O)Nc1nc(-c2cccc(F)c2)cs1
InChIInChI=1S/C19H12F2N4O2S/c20-12-3-1-2-11(6-12)16-9-28-19(23-16)24-17(26)8-25-10-22-15-5-4-13(21)7-14(15)18(25)27/h1-7,9-10H,8H2,(H,23,24,26)
InChIKeyQYYGIXMGZXTTEG-UHFFFAOYSA-N
XLogP3.44
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 8801516
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 55575215
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 32623205
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9450450
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 46581458
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(1-phenylethyl)acetamide
CID 46585768
2-(4-oxoquinazolin-3-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 2567187
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 42952638
ethyl 2-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 55583528
2-(benzimidazol-1-yl)-N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 16661440
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 46581294
N-(3-ethylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 46583999

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]acetamide (CID 30840666) is 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]acetamide is O=C(Cn1cnc2ccc(F)cc2c1=O)Nc1nc(-c2cccc(F)c2)cs1.
What is the InChIKey of 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is QYYGIXMGZXTTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N4O2S/c20-12-3-1-2-11(6-12)16-9-28-19(23-16)24-17(26)8-25-10-22-15-5-4-13(21)7-14(15)18(25)27/h1-7,9-10H,8H2,(H,23,24,26).
What are the key properties of 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 398.39 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 30840666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).