2-[2-phenyl-8-(trifluoromethyl)quinazolin-4-yl]sulfanyl-N-propylacetamide

C20H18F3N3OS — CID 3869650

IUPAC2-[2-phenyl-8-(trifluoromethyl)quinazolin-4-yl]sulfanyl-N-propylacetamide
SMILESCCCNC(=O)CSc1nc(-c2ccccc2)nc2c(C(F)(F)F)cccc12
InChIInChI=1S/C20H18F3N3OS/c1-2-11-24-16(27)12-28-19-14-9-6-10-15(20(21,22)23)17(14)25-18(26-19)13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H,24,27)
InChIKeyQKCYQIBRQJJXFI-UHFFFAOYSA-N
MW405.45 g/mol
LogP4.93
Rot. Bonds6

About 2-[2-phenyl-8-(trifluoromethyl)quinazolin-4-yl]sulfanyl-N-propylacetamide

2-[2-phenyl-8-(trifluoromethyl)quinazolin-4-yl]sulfanyl-N-propylacetamide (PubChem CID 3869650) has the molecular formula C20H18F3N3OS and a molecular weight of 405.45 g/mol. Its IUPAC name is 2-[2-phenyl-8-(trifluoromethyl)quinazolin-4-yl]sulfanyl-N-propylacetamide.

Molecular Properties

Compound Name2-[2-phenyl-8-(trifluoromethyl)quinazolin-4-yl]sulfanyl-N-propylacetamide
PubChem CID3869650
Molecular FormulaC20H18F3N3OS
Molecular Weight405.45 g/mol
Exact Mass405.11
IUPAC Name2-[2-phenyl-8-(trifluoromethyl)quinazolin-4-yl]sulfanyl-N-propylacetamide
SMILESCCCNC(=O)CSc1nc(-c2ccccc2)nc2c(C(F)(F)F)cccc12
InChIInChI=1S/C20H18F3N3OS/c1-2-11-24-16(27)12-28-19-14-9-6-10-15(20(21,22)23)17(14)25-18(26-19)13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H,24,27)
InChIKeyQKCYQIBRQJJXFI-UHFFFAOYSA-N
XLogP4.93
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-fluorophenyl)-6-methylquinazolin-4-yl]sulfanyl-N-propylacetamide
CID 3226769
2-(8-ethyl-2-phenylquinazolin-4-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 994841
N-benzyl-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide
CID 3184944
2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-propylacetamide
CID 4809970
N-[2-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide
CID 60545390
N-cyclopropyl-2-[8-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide
CID 1459882
2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanyl-N-(3-methoxypropyl)acetamide
CID 41193420
2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16507539
ethyl 2-[[2-(8-ethyl-2-phenylquinazolin-4-yl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 3166172
2-(3-ethyl-8-methylquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3207972
2-[2-(4-fluorophenyl)-8-methylquinazolin-4-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 3226702
N-butyl-2-[2-(4-fluorophenyl)-7-methylquinazolin-4-yl]sulfanylacetamide
CID 3226763

Frequently Asked Questions

What is the IUPAC name of 2-[2-phenyl-8-(trifluoromethyl)quinazolin-4-yl]sulfanyl-N-propylacetamide?
The IUPAC name of 2-[2-phenyl-8-(trifluoromethyl)quinazolin-4-yl]sulfanyl-N-propylacetamide (CID 3869650) is 2-[2-phenyl-8-(trifluoromethyl)quinazolin-4-yl]sulfanyl-N-propylacetamide.
What is the SMILES notation for 2-[2-phenyl-8-(trifluoromethyl)quinazolin-4-yl]sulfanyl-N-propylacetamide?
The canonical SMILES for 2-[2-phenyl-8-(trifluoromethyl)quinazolin-4-yl]sulfanyl-N-propylacetamide is CCCNC(=O)CSc1nc(-c2ccccc2)nc2c(C(F)(F)F)cccc12.
What is the InChIKey of 2-[2-phenyl-8-(trifluoromethyl)quinazolin-4-yl]sulfanyl-N-propylacetamide?
The InChIKey is QKCYQIBRQJJXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3OS/c1-2-11-24-16(27)12-28-19-14-9-6-10-15(20(21,22)23)17(14)25-18(26-19)13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H,24,27).
What are the key properties of 2-[2-phenyl-8-(trifluoromethyl)quinazolin-4-yl]sulfanyl-N-propylacetamide?
2-[2-phenyl-8-(trifluoromethyl)quinazolin-4-yl]sulfanyl-N-propylacetamide has a molecular weight of 405.45 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-phenyl-8-(trifluoromethyl)quinazolin-4-yl]sulfanyl-N-propylacetamide is sourced from PubChem (CID 3869650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).