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

C24H19ClFN3OS — CID 3166672

IUPACN-(4-chlorophenyl)-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide
SMILESCCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)Nc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C24H19ClFN3OS/c1-2-15-3-12-21-20(13-15)24(29-23(28-21)16-4-8-18(26)9-5-16)31-14-22(30)27-19-10-6-17(25)7-11-19/h3-13H,2,14H2,1H3,(H,27,30)
InChIKeyOLBCTQMSLYCYFQ-UHFFFAOYSA-N
MW451.95 g/mol
LogP6.38
Rot. Bonds6

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

N-(4-chlorophenyl)-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide (PubChem CID 3166672) has the molecular formula C24H19ClFN3OS and a molecular weight of 451.95 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide
PubChem CID3166672
Molecular FormulaC24H19ClFN3OS
Molecular Weight451.95 g/mol
Exact Mass451.09
IUPAC NameN-(4-chlorophenyl)-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide
SMILESCCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)Nc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C24H19ClFN3OS/c1-2-15-3-12-21-20(13-15)24(29-23(28-21)16-4-8-18(26)9-5-16)31-14-22(30)27-19-10-6-17(25)7-11-19/h3-13H,2,14H2,1H3,(H,27,30)
InChIKeyOLBCTQMSLYCYFQ-UHFFFAOYSA-N
XLogP6.38
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.95
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetyl]amino]benzoate
CID 1136300
N-benzyl-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide
CID 3184944
N-cyclopropyl-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide
CID 1459866
2-[6-chloro-2-(4-methylphenyl)quinazolin-4-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 46934535
N-(3-chloro-4-methylphenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide
CID 3136401
4-[(3,4-dichlorophenyl)methylsulfanyl]-6-ethyl-2-(4-fluorophenyl)quinazoline
CID 3166693
2-[2-(4-fluorophenyl)-7-methylquinazolin-4-yl]sulfanyl-N-phenylacetamide
CID 1459615
2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 1129852
N-(5-chloro-2-methoxyphenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide
CID 3166643
2-[2-(4-fluorophenyl)-6-methylquinazolin-4-yl]sulfanyl-N-propylacetamide
CID 3226769
N-(2,3-dichlorophenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide
CID 3166645
ethyl 4-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-6-methyl-2-phenylpyrimidine-5-carboxylate
CID 35177797

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide (CID 3166672) is N-(4-chlorophenyl)-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide is CCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)Nc3ccc(Cl)cc3)c2c1.
What is the InChIKey of N-(4-chlorophenyl)-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide?
The InChIKey is OLBCTQMSLYCYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN3OS/c1-2-15-3-12-21-20(13-15)24(29-23(28-21)16-4-8-18(26)9-5-16)31-14-22(30)27-19-10-6-17(25)7-11-19/h3-13H,2,14H2,1H3,(H,27,30).
What are the key properties of N-(4-chlorophenyl)-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide?
N-(4-chlorophenyl)-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide has a molecular weight of 451.95 g/mol, XLogP of 6.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide is sourced from PubChem (CID 3166672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).