5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol

C19H27NO — CID 82958621

IUPAC5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESOc1ccc2c(c1)CCCC2N1CCCC2CCCCC21
InChIInChI=1S/C19H27NO/c21-16-10-11-17-15(13-16)6-3-9-19(17)20-12-4-7-14-5-1-2-8-18(14)20/h10-11,13-14,18-19,21H,1-9,12H2
InChIKeyZEJMLCSVLYZLKQ-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.42
Rot. Bonds1

About 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol

5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 82958621) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID82958621
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESOc1ccc2c(c1)CCCC2N1CCCC2CCCCC21
InChIInChI=1S/C19H27NO/c21-16-10-11-17-15(13-16)6-3-9-19(17)20-12-4-7-14-5-1-2-8-18(14)20/h10-11,13-14,18-19,21H,1-9,12H2
InChIKeyZEJMLCSVLYZLKQ-UHFFFAOYSA-N
XLogP4.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol with MolForge

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Related Compounds

1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2,3-dihydro-1H-inden-5-amine
CID 82751547
5-(4-ethylpiperidin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 82985819
1-(2-propylpiperidin-1-yl)-2,3-dihydro-1H-inden-5-ol
CID 107685129
(1S)-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-ol
CID 129390892
9-methoxy-2,3,4,4a,6,7,11b,12,13,13a-decahydro-1H-isoquinolino[2,1-a]quinoline
CID 23261897
(1S)-1-piperidin-1-yl-2,3-dihydro-1H-inden-5-ol
CID 129389365
9-hydroxy-13a-methyl-3,4,4a,6,7,11b,12,13-octahydro-2H-isoquinolino[2,1-a]quinolin-1-one
CID 162924653
5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 104961917
5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 82963117
1-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678082
(4bS,8aR)-5,6,7,8,8a,9-hexahydro-4bH-fluoren-2-ol
CID 129388444
1-(3,4-dihydro-2H-quinolin-1-yl)-2,3-dihydro-1H-inden-5-ol
CID 107684922

Frequently Asked Questions

What is the IUPAC name of 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol (CID 82958621) is 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol is Oc1ccc2c(c1)CCCC2N1CCCC2CCCCC21.
What is the InChIKey of 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is ZEJMLCSVLYZLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c21-16-10-11-17-15(13-16)6-3-9-19(17)20-12-4-7-14-5-1-2-8-18(14)20/h10-11,13-14,18-19,21H,1-9,12H2.
What are the key properties of 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol?
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 285.43 g/mol, XLogP of 4.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 82958621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).