2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone

C23H25N3O4S — CID 3208095

IUPAC2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
SMILESCCc1cc2ccc(OC)cc2nc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C23H25N3O4S/c1-3-16-13-17-6-7-18(29-2)14-19(17)24-22(16)31-15-21(27)25-8-10-26(11-9-25)23(28)20-5-4-12-30-20/h4-7,12-14H,3,8-11,15H2,1-2H3
InChIKeyKCJRWZWIKIAGGJ-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.48
Rot. Bonds6

About 2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone

2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 3208095) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is 2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID3208095
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC Name2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
SMILESCCc1cc2ccc(OC)cc2nc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C23H25N3O4S/c1-3-16-13-17-6-7-18(29-2)14-19(17)24-22(16)31-15-21(27)25-8-10-26(11-9-25)23(28)20-5-4-12-30-20/h4-7,12-14H,3,8-11,15H2,1-2H3
InChIKeyKCJRWZWIKIAGGJ-UHFFFAOYSA-N
XLogP3.48
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-Furyl[4-(2-methylquinolin-4-yl)piperazino]methanone
CID 2728457
2-(3-Ethyl-8-methyl-quinolin-2-ylsulfanyl)-1-[4-(furan-2-carbonyl)-piperazin-1-yl]-ethanone
CID 647243
2-(3-Ethyl-quinolin-2-ylsulfanyl)-1-[4-(furan-2-carbonyl)-piperazin-1-yl]-ethanone
CID 647971
7-Ethoxy-2-(2-morpholin-4-yl-2-oxo-ethylsulfanyl)-quinoline-3-carbonitrile
CID 648826
2-(7-Ethyl-[1,3]dioxolo[4,5-g]quinolin-6-ylsulfanyl)-1-[4-(furan-2-carbonyl)-piperazin-1-yl]-ethanone
CID 651100
2-(3-Ethyl-6,8-dimethyl-quinolin-2-ylsulfanyl)-1-[4-(furan-2-carbonyl)-piperazin-1-yl]-ethanone
CID 656141
2-(7-Methoxy-4-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylethanone
CID 2087886
1-[1-(2-Methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylethanone
CID 2096854
2-{[4-(2-Furoyl)piperazin-1-yl]carbonyl}-7-methylthieno[2,3-b]quinoline
CID 3238745
7-Chloro-9-({2-[4-(2-furoyl)piperazin-1-yl]-2-oxoethyl}thio)-1,2,3,4-tetrahydroacridine
CID 3239595
1-{7-Methoxyfuro[2,3-B]quinoline-2-carbonyl}-3-methylpiperidine
CID 3282304
1-{7-Methoxyfuro[2,3-B]quinoline-2-carbonyl}-3,5-dimethylpiperidine
CID 4185459

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone (CID 3208095) is 2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone is CCc1cc2ccc(OC)cc2nc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is KCJRWZWIKIAGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-3-16-13-17-6-7-18(29-2)14-19(17)24-22(16)31-15-21(27)25-8-10-26(11-9-25)23(28)20-5-4-12-30-20/h4-7,12-14H,3,8-11,15H2,1-2H3.
What are the key properties of 2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 439.54 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 3208095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).