5-[(E)-2-(1-ethyl-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-yl)ethenyl]quinolin-8-ol

C23H30N2O — CID 54610203

IUPAC5-[(E)-2-(1-ethyl-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-yl)ethenyl]quinolin-8-ol
SMILESCCN1C(/C=C/c2ccc(O)c3ncccc23)CCC2CC(C)CCC21
InChIInChI=1S/C23H30N2O/c1-3-25-19(11-8-18-15-16(2)6-12-21(18)25)10-7-17-9-13-22(26)23-20(17)5-4-14-24-23/h4-5,7,9-10,13-14,16,18-19,21,26H,3,6,8,11-12,15H2,1-2H3/b10-7+
InChIKeyRNSCOIXGENJICR-JXMROGBWSA-N
MW350.51 g/mol
LogP5.24
Rot. Bonds3

About 5-[(E)-2-(1-ethyl-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-yl)ethenyl]quinolin-8-ol

5-[(E)-2-(1-ethyl-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-yl)ethenyl]quinolin-8-ol (PubChem CID 54610203) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is 5-[(E)-2-(1-ethyl-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-yl)ethenyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[(E)-2-(1-ethyl-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-yl)ethenyl]quinolin-8-ol
PubChem CID54610203
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name5-[(E)-2-(1-ethyl-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-yl)ethenyl]quinolin-8-ol
SMILESCCN1C(/C=C/c2ccc(O)c3ncccc23)CCC2CC(C)CCC21
InChIInChI=1S/C23H30N2O/c1-3-25-19(11-8-18-15-16(2)6-12-21(18)25)10-7-17-9-13-22(26)23-20(17)5-4-14-24-23/h4-5,7,9-10,13-14,16,18-19,21,26H,3,6,8,11-12,15H2,1-2H3/b10-7+
InChIKeyRNSCOIXGENJICR-JXMROGBWSA-N
XLogP5.24
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.51
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[(E)-2-(1-ethyl-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-yl)ethenyl]quinolin-8-ol with MolForge

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Related Compounds

1,5-bis(8-hydroxyquinolin-5-yl)penta-1,4-dien-3-one
CID 139642586
3-(8-hydroxyquinolin-5-yl)prop-2-enoic acid
CID 175924334
CID 174887707
CID 174887707
2-[2-(8-hydroxyquinolin-5-yl)ethenyl]-1-methylquinolin-1-ium-8-ol chloride
CID 137221718
5-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]quinolin-8-ol iodide
CID 137221720
5-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]quinolin-8-ol iodide
CID 137221721
5-(piperidin-4-ylmethyl)quinolin-8-ol
CID 117358047
5-[(dimethylamino)methyl]quinolin-8-ol
CID 5118731
5-naphthalen-1-ylquinolin-8-ol;zinc
CID 20606771
5-undecylquinolin-8-ol
CID 10780517
5-(3-triethoxysilylpropyliminomethyl)quinolin-8-ol
CID 136818505
5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]quinolin-8-ol
CID 117396923

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(1-ethyl-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-yl)ethenyl]quinolin-8-ol?
The IUPAC name of 5-[(E)-2-(1-ethyl-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-yl)ethenyl]quinolin-8-ol (CID 54610203) is 5-[(E)-2-(1-ethyl-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-yl)ethenyl]quinolin-8-ol.
What is the SMILES notation for 5-[(E)-2-(1-ethyl-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-yl)ethenyl]quinolin-8-ol?
The canonical SMILES for 5-[(E)-2-(1-ethyl-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-yl)ethenyl]quinolin-8-ol is CCN1C(/C=C/c2ccc(O)c3ncccc23)CCC2CC(C)CCC21.
What is the InChIKey of 5-[(E)-2-(1-ethyl-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-yl)ethenyl]quinolin-8-ol?
The InChIKey is RNSCOIXGENJICR-JXMROGBWSA-N. The full InChI is InChI=1S/C23H30N2O/c1-3-25-19(11-8-18-15-16(2)6-12-21(18)25)10-7-17-9-13-22(26)23-20(17)5-4-14-24-23/h4-5,7,9-10,13-14,16,18-19,21,26H,3,6,8,11-12,15H2,1-2H3/b10-7+.
What are the key properties of 5-[(E)-2-(1-ethyl-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-yl)ethenyl]quinolin-8-ol?
5-[(E)-2-(1-ethyl-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-yl)ethenyl]quinolin-8-ol has a molecular weight of 350.51 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(1-ethyl-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-yl)ethenyl]quinolin-8-ol is sourced from PubChem (CID 54610203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).