N-cyclopropyl-2-[8-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide

C21H20FN3OS — CID 1459882

IUPACN-cyclopropyl-2-[8-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide
SMILESCCc1cccc2c(SCC(=O)NC3CC3)nc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C21H20FN3OS/c1-2-13-4-3-5-17-19(13)24-20(14-6-8-15(22)9-7-14)25-21(17)27-12-18(26)23-16-10-11-16/h3-9,16H,2,10-12H2,1H3,(H,23,26)
InChIKeyLRQYUYMYKDUZOG-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.37
Rot. Bonds6

About N-cyclopropyl-2-[8-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide

N-cyclopropyl-2-[8-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide (PubChem CID 1459882) has the molecular formula C21H20FN3OS and a molecular weight of 381.48 g/mol. Its IUPAC name is N-cyclopropyl-2-[8-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[8-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide
PubChem CID1459882
Molecular FormulaC21H20FN3OS
Molecular Weight381.48 g/mol
Exact Mass381.13
IUPAC NameN-cyclopropyl-2-[8-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide
SMILESCCc1cccc2c(SCC(=O)NC3CC3)nc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C21H20FN3OS/c1-2-13-4-3-5-17-19(13)24-20(14-6-8-15(22)9-7-14)25-21(17)27-12-18(26)23-16-10-11-16/h3-9,16H,2,10-12H2,1H3,(H,23,26)
InChIKeyLRQYUYMYKDUZOG-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-cyclopropyl-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide
CID 1459866
2-[8-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-N-(2-methoxy-4-nitrophenyl)acetamide
CID 3137270
2-[2-(4-fluorophenyl)-8-methylquinazolin-4-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 3226702
2-(8-ethyl-2-phenylquinazolin-4-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 994841
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-[2-(4-fluorophenyl)-8-methylquinazolin-4-yl]sulfanyl-N-(4-nitrophenyl)acetamide
CID 3135912
N-benzyl-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide
CID 3184944
2-[2-phenyl-8-(trifluoromethyl)quinazolin-4-yl]sulfanyl-N-propylacetamide
CID 3869650
ethyl 5-acetyl-2-[[2-(8-ethyl-2-phenylquinazolin-4-yl)sulfanylacetyl]amino]-4-methylthiophene-3-carboxylate
CID 3166174
N-[(1S,2S)-2-methylcyclohexyl]-2-(2-phenylquinazolin-4-yl)sulfanylacetamide
CID 7116672
N-[(1R,2R)-2-methylcyclohexyl]-2-(2-phenylquinazolin-4-yl)sulfanylacetamide
CID 7116669

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[8-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide?
The IUPAC name of N-cyclopropyl-2-[8-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide (CID 1459882) is N-cyclopropyl-2-[8-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[8-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide?
The canonical SMILES for N-cyclopropyl-2-[8-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide is CCc1cccc2c(SCC(=O)NC3CC3)nc(-c3ccc(F)cc3)nc12.
What is the InChIKey of N-cyclopropyl-2-[8-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide?
The InChIKey is LRQYUYMYKDUZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3OS/c1-2-13-4-3-5-17-19(13)24-20(14-6-8-15(22)9-7-14)25-21(17)27-12-18(26)23-16-10-11-16/h3-9,16H,2,10-12H2,1H3,(H,23,26).
What are the key properties of N-cyclopropyl-2-[8-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide?
N-cyclopropyl-2-[8-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-[8-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide is sourced from PubChem (CID 1459882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).