N-(2-methylsulfanyl-4-oxoquinazolin-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide

C18H14F3N3O3S — CID 70875427

IUPACN-(2-methylsulfanyl-4-oxoquinazolin-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCSc1nc2ccccc2c(=O)n1NC(=O)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H14F3N3O3S/c1-28-17-22-14-5-3-2-4-13(14)16(26)24(17)23-15(25)10-11-6-8-12(9-7-11)27-18(19,20)21/h2-9H,10H2,1H3,(H,23,25)
InChIKeyMUQNQCAIEYHTTA-UHFFFAOYSA-N
MW409.39 g/mol
LogP3.33
Rot. Bonds5

About N-(2-methylsulfanyl-4-oxoquinazolin-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide

N-(2-methylsulfanyl-4-oxoquinazolin-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 70875427) has the molecular formula C18H14F3N3O3S and a molecular weight of 409.39 g/mol. Its IUPAC name is N-(2-methylsulfanyl-4-oxoquinazolin-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-(2-methylsulfanyl-4-oxoquinazolin-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID70875427
Molecular FormulaC18H14F3N3O3S
Molecular Weight409.39 g/mol
Exact Mass409.07
IUPAC NameN-(2-methylsulfanyl-4-oxoquinazolin-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCSc1nc2ccccc2c(=O)n1NC(=O)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H14F3N3O3S/c1-28-17-22-14-5-3-2-4-13(14)16(26)24(17)23-15(25)10-11-6-8-12(9-7-11)27-18(19,20)21/h2-9H,10H2,1H3,(H,23,25)
InChIKeyMUQNQCAIEYHTTA-UHFFFAOYSA-N
XLogP3.33
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-oxo-2-propyl-7-(trifluoromethoxy)quinazolin-3-yl]-2-phenylacetamide
CID 70838803
N-[2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-2-phenylacetamide
CID 4186213
2-(3,5-difluorophenyl)-N-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 70838580
N-[2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2-phenylacetamide
CID 70838498
N-[2-[2-(benzylamino)-2-oxoethyl]-4-oxoquinazolin-3-yl]-2-phenylacetamide
CID 10025480
3-(thiophen-2-ylmethyl)-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]quinazolin-4-one
CID 4526258
2-[4-(trifluoromethoxy)phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 112829044
N-[7-fluoro-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]-2-phenylacetamide
CID 70838791
N-[2-ethenylsulfanyl-4-oxo-8-(trifluoromethyl)quinazolin-3-yl]-2-phenylacetamide
CID 89053407
N-[2-[(3-fluorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]-4-methoxybenzamide
CID 3574138
N-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-4-methoxybenzamide
CID 2202336
3-(1,3-benzodioxol-5-ylmethyl)-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]quinazolin-4-one
CID 5198601

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanyl-4-oxoquinazolin-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of N-(2-methylsulfanyl-4-oxoquinazolin-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide (CID 70875427) is N-(2-methylsulfanyl-4-oxoquinazolin-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-(2-methylsulfanyl-4-oxoquinazolin-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-(2-methylsulfanyl-4-oxoquinazolin-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide is CSc1nc2ccccc2c(=O)n1NC(=O)Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(2-methylsulfanyl-4-oxoquinazolin-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is MUQNQCAIEYHTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O3S/c1-28-17-22-14-5-3-2-4-13(14)16(26)24(17)23-15(25)10-11-6-8-12(9-7-11)27-18(19,20)21/h2-9H,10H2,1H3,(H,23,25).
What are the key properties of N-(2-methylsulfanyl-4-oxoquinazolin-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide?
N-(2-methylsulfanyl-4-oxoquinazolin-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 409.39 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanyl-4-oxoquinazolin-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 70875427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).