(4E,5E)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-5-ethylidene-4-prop-2-enylideneimidazole-1-carbonitrile

C20H20N4OS — CID 143329595

IUPAC(4E,5E)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-5-ethylidene-4-prop-2-enylideneimidazole-1-carbonitrile
SMILESC=C/C=c1/nc(SCC(=O)N2CCCc3ccccc32)n(C#N)/c1=C/C
InChIInChI=1S/C20H20N4OS/c1-3-8-16-17(4-2)24(14-21)20(22-16)26-13-19(25)23-12-7-10-15-9-5-6-11-18(15)23/h3-6,8-9,11H,1,7,10,12-13H2,2H3/b16-8+,17-4+
InChIKeyYONKZYPDSYIOIV-UGSJDDTNSA-N
MW364.47 g/mol
LogP2.05
Rot. Bonds4

About (4E,5E)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-5-ethylidene-4-prop-2-enylideneimidazole-1-carbonitrile

(4E,5E)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-5-ethylidene-4-prop-2-enylideneimidazole-1-carbonitrile (PubChem CID 143329595) has the molecular formula C20H20N4OS and a molecular weight of 364.47 g/mol. Its IUPAC name is (4E,5E)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-5-ethylidene-4-prop-2-enylideneimidazole-1-carbonitrile.

Molecular Properties

Compound Name(4E,5E)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-5-ethylidene-4-prop-2-enylideneimidazole-1-carbonitrile
PubChem CID143329595
Molecular FormulaC20H20N4OS
Molecular Weight364.47 g/mol
Exact Mass364.14
IUPAC Name(4E,5E)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-5-ethylidene-4-prop-2-enylideneimidazole-1-carbonitrile
SMILESC=C/C=c1/nc(SCC(=O)N2CCCc3ccccc32)n(C#N)/c1=C/C
InChIInChI=1S/C20H20N4OS/c1-3-8-16-17(4-2)24(14-21)20(22-16)26-13-19(25)23-12-7-10-15-9-5-6-11-18(15)23/h3-6,8-9,11H,1,7,10,12-13H2,2H3/b16-8+,17-4+
InChIKeyYONKZYPDSYIOIV-UGSJDDTNSA-N
XLogP2.05
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4E,5E)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-5-ethylidene-4-prop-2-enylideneimidazole-1-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylbenzimidazole-1-carbonitrile
CID 25100915
2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 16502774
1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylsulfanylethanone
CID 3476595
2-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 715290
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone
CID 27138971
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[6-ethenyl-5-[(Z)-prop-1-enyl]pyrazin-2-yl]sulfanylethanone;ethane
CID 143675181
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylethanone
CID 36794907
2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 1179059
1-(3,4-dihydro-2H-quinolin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)ethanone
CID 43816417
2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 7743181
4-amino-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylpyrimidine-5-carbonitrile
CID 855484
10-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-11-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
CID 1176467

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-5-ethylidene-4-prop-2-enylideneimidazole-1-carbonitrile?
The IUPAC name of (4E,5E)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-5-ethylidene-4-prop-2-enylideneimidazole-1-carbonitrile (CID 143329595) is (4E,5E)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-5-ethylidene-4-prop-2-enylideneimidazole-1-carbonitrile.
What is the SMILES notation for (4E,5E)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-5-ethylidene-4-prop-2-enylideneimidazole-1-carbonitrile?
The canonical SMILES for (4E,5E)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-5-ethylidene-4-prop-2-enylideneimidazole-1-carbonitrile is C=C/C=c1/nc(SCC(=O)N2CCCc3ccccc32)n(C#N)/c1=C/C.
What is the InChIKey of (4E,5E)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-5-ethylidene-4-prop-2-enylideneimidazole-1-carbonitrile?
The InChIKey is YONKZYPDSYIOIV-UGSJDDTNSA-N. The full InChI is InChI=1S/C20H20N4OS/c1-3-8-16-17(4-2)24(14-21)20(22-16)26-13-19(25)23-12-7-10-15-9-5-6-11-18(15)23/h3-6,8-9,11H,1,7,10,12-13H2,2H3/b16-8+,17-4+.
What are the key properties of (4E,5E)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-5-ethylidene-4-prop-2-enylideneimidazole-1-carbonitrile?
(4E,5E)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-5-ethylidene-4-prop-2-enylideneimidazole-1-carbonitrile has a molecular weight of 364.47 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-5-ethylidene-4-prop-2-enylideneimidazole-1-carbonitrile is sourced from PubChem (CID 143329595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).