2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(2-thiophen-3-ylethyl)acetamide

C16H14FN3O2S — CID 46400059

IUPAC2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(2-thiophen-3-ylethyl)acetamide
SMILESO=C(Cn1cnc2ccc(F)cc2c1=O)NCCc1ccsc1
InChIInChI=1S/C16H14FN3O2S/c17-12-1-2-14-13(7-12)16(22)20(10-19-14)8-15(21)18-5-3-11-4-6-23-9-11/h1-2,4,6-7,9-10H,3,5,8H2,(H,18,21)
InChIKeyCHBSUZZVWZBDQP-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.96
Rot. Bonds5

About 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(2-thiophen-3-ylethyl)acetamide

2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(2-thiophen-3-ylethyl)acetamide (PubChem CID 46400059) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(2-thiophen-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(2-thiophen-3-ylethyl)acetamide
PubChem CID46400059
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC Name2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(2-thiophen-3-ylethyl)acetamide
SMILESO=C(Cn1cnc2ccc(F)cc2c1=O)NCCc1ccsc1
InChIInChI=1S/C16H14FN3O2S/c17-12-1-2-14-13(7-12)16(22)20(10-19-14)8-15(21)18-5-3-11-4-6-23-9-11/h1-2,4,6-7,9-10H,3,5,8H2,(H,18,21)
InChIKeyCHBSUZZVWZBDQP-UHFFFAOYSA-N
XLogP1.96
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-fluoro-4-oxoquinazolin-3-yl)-N-pentylacetamide
CID 46585809
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-phenylmethoxyacetamide
CID 47023949
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 8536635
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 42952638
2-(6-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 55733123
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(1-phenylethyl)acetamide
CID 46585768
N-cyclopropyl-2-[2-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]hydrazinyl]-2-oxoacetamide
CID 46463478
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 46581458
2-(4-oxoquinazolin-3-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
CID 91625669
N-(2-ethylhexyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 46581687
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 30840666
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 46581294

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(2-thiophen-3-ylethyl)acetamide?
The IUPAC name of 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(2-thiophen-3-ylethyl)acetamide (CID 46400059) is 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(2-thiophen-3-ylethyl)acetamide.
What is the SMILES notation for 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(2-thiophen-3-ylethyl)acetamide?
The canonical SMILES for 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(2-thiophen-3-ylethyl)acetamide is O=C(Cn1cnc2ccc(F)cc2c1=O)NCCc1ccsc1.
What is the InChIKey of 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(2-thiophen-3-ylethyl)acetamide?
The InChIKey is CHBSUZZVWZBDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c17-12-1-2-14-13(7-12)16(22)20(10-19-14)8-15(21)18-5-3-11-4-6-23-9-11/h1-2,4,6-7,9-10H,3,5,8H2,(H,18,21).
What are the key properties of 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(2-thiophen-3-ylethyl)acetamide?
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(2-thiophen-3-ylethyl)acetamide has a molecular weight of 331.37 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(2-thiophen-3-ylethyl)acetamide is sourced from PubChem (CID 46400059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).