N-cyclopropyl-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide

C21H20FN3OS — CID 1459866

IUPACN-cyclopropyl-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide
SMILESCCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)NC3CC3)c2c1
InChIInChI=1S/C21H20FN3OS/c1-2-13-3-10-18-17(11-13)21(27-12-19(26)23-16-8-9-16)25-20(24-18)14-4-6-15(22)7-5-14/h3-7,10-11,16H,2,8-9,12H2,1H3,(H,23,26)
InChIKeyCAEJECXMOXIWJE-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.37
Rot. Bonds6

About N-cyclopropyl-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide

N-cyclopropyl-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide (PubChem CID 1459866) has the molecular formula C21H20FN3OS and a molecular weight of 381.48 g/mol. Its IUPAC name is N-cyclopropyl-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide
PubChem CID1459866
Molecular FormulaC21H20FN3OS
Molecular Weight381.48 g/mol
Exact Mass381.13
IUPAC NameN-cyclopropyl-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide
SMILESCCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)NC3CC3)c2c1
InChIInChI=1S/C21H20FN3OS/c1-2-13-3-10-18-17(11-13)21(27-12-19(26)23-16-8-9-16)25-20(24-18)14-4-6-15(22)7-5-14/h3-7,10-11,16H,2,8-9,12H2,1H3,(H,23,26)
InChIKeyCAEJECXMOXIWJE-UHFFFAOYSA-N
XLogP4.37
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide
CID 3184944
N-(4-chlorophenyl)-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide
CID 3166672
methyl 4-[[2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetyl]amino]benzoate
CID 1136300
N-cyclopropyl-2-[8-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide
CID 1459882
2-[2-(4-fluorophenyl)-6-methylquinazolin-4-yl]sulfanyl-N-propylacetamide
CID 3226769
4-[(3,4-dichlorophenyl)methylsulfanyl]-6-ethyl-2-(4-fluorophenyl)quinazoline
CID 3166693
N-cyclopropyl-2-[2-(4-fluorophenyl)-4-methylquinolin-6-yl]acetamide
CID 170505736
N-cyclohexyl-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide
CID 51364986
N-cyclopentyl-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide
CID 51365001
2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetic acid
CID 1136287
2-[2-(4-fluorophenyl)-7-methylquinazolin-4-yl]sulfanyl-N-phenylacetamide
CID 1459615
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylethanone
CID 7123557

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide?
The IUPAC name of N-cyclopropyl-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide (CID 1459866) is N-cyclopropyl-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide?
The canonical SMILES for N-cyclopropyl-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide is CCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)NC3CC3)c2c1.
What is the InChIKey of N-cyclopropyl-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide?
The InChIKey is CAEJECXMOXIWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3OS/c1-2-13-3-10-18-17(11-13)21(27-12-19(26)23-16-8-9-16)25-20(24-18)14-4-6-15(22)7-5-14/h3-7,10-11,16H,2,8-9,12H2,1H3,(H,23,26).
What are the key properties of N-cyclopropyl-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide?
N-cyclopropyl-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide has a molecular weight of 381.48 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide is sourced from PubChem (CID 1459866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).