2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide

C16H14FN3O2S — CID 40743912

IUPAC2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
SMILESC[C@@H](NC(=O)Cn1cnc2cc(F)ccc2c1=O)c1cccs1
InChIInChI=1S/C16H14FN3O2S/c1-10(14-3-2-6-23-14)19-15(21)8-20-9-18-13-7-11(17)4-5-12(13)16(20)22/h2-7,9-10H,8H2,1H3,(H,19,21)/t10-/m1/s1
InChIKeyOXLUKTVDIJTHGG-SNVBAGLBSA-N
MW331.37 g/mol
LogP2.47
Rot. Bonds4

About 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide

2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide (PubChem CID 40743912) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
PubChem CID40743912
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC Name2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
SMILESC[C@@H](NC(=O)Cn1cnc2cc(F)ccc2c1=O)c1cccs1
InChIInChI=1S/C16H14FN3O2S/c1-10(14-3-2-6-23-14)19-15(21)8-20-9-18-13-7-11(17)4-5-12(13)16(20)22/h2-7,9-10H,8H2,1H3,(H,19,21)/t10-/m1/s1
InChIKeyOXLUKTVDIJTHGG-SNVBAGLBSA-N
XLogP2.47
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 24520776
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 17458089
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 55443771
N-[(1R)-1-cyclopropylethyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 40750663
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 17446665
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(1-phenylethyl)acetamide
CID 46585768
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 42952638
N-[(4-butylphenyl)-thiophen-2-ylmethyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 55576408
N-(2,3-dimethylphenyl)-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 40743513
N-[1-(3-bromophenyl)ethyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 55577613
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 24520750
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-thiophen-2-ylethyl)propanamide
CID 24621684

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide (CID 40743912) is 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide is C[C@@H](NC(=O)Cn1cnc2cc(F)ccc2c1=O)c1cccs1.
What is the InChIKey of 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
The InChIKey is OXLUKTVDIJTHGG-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c1-10(14-3-2-6-23-14)19-15(21)8-20-9-18-13-7-11(17)4-5-12(13)16(20)22/h2-7,9-10H,8H2,1H3,(H,19,21)/t10-/m1/s1.
What are the key properties of 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide has a molecular weight of 331.37 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 40743912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).