[(6aR,9S,10aR)-7,9-dimethyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methanol

C17H22N2O — CID 70622855

IUPAC[(6aR,9S,10aR)-7,9-dimethyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methanol
SMILESCN1C[C@@](C)(CO)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C17H22N2O/c1-17(10-20)7-13-12-4-3-5-14-16(12)11(8-18-14)6-15(13)19(2)9-17/h3-5,8,13,15,18,20H,6-7,9-10H2,1-2H3/t13-,15-,17+/m1/s1
InChIKeyQLLZOHIEOVODHU-UNEWFSDZSA-N
MW270.38 g/mol
LogP2.51
Rot. Bonds1

About [(6aR,9S,10aR)-7,9-dimethyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methanol

[(6aR,9S,10aR)-7,9-dimethyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methanol (PubChem CID 70622855) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is [(6aR,9S,10aR)-7,9-dimethyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methanol.

Molecular Properties

Compound Name[(6aR,9S,10aR)-7,9-dimethyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methanol
PubChem CID70622855
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name[(6aR,9S,10aR)-7,9-dimethyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methanol
SMILESCN1C[C@@](C)(CO)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C17H22N2O/c1-17(10-20)7-13-12-4-3-5-14-16(12)11(8-18-14)6-15(13)19(2)9-17/h3-5,8,13,15,18,20H,6-7,9-10H2,1-2H3/t13-,15-,17+/m1/s1
InChIKeyQLLZOHIEOVODHU-UNEWFSDZSA-N
XLogP2.51
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(6aR,9S,10aR)-7,9-dimethyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methanol?
The IUPAC name of [(6aR,9S,10aR)-7,9-dimethyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methanol (CID 70622855) is [(6aR,9S,10aR)-7,9-dimethyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methanol.
What is the SMILES notation for [(6aR,9S,10aR)-7,9-dimethyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methanol?
The canonical SMILES for [(6aR,9S,10aR)-7,9-dimethyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methanol is CN1C[C@@](C)(CO)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.
What is the InChIKey of [(6aR,9S,10aR)-7,9-dimethyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methanol?
The InChIKey is QLLZOHIEOVODHU-UNEWFSDZSA-N. The full InChI is InChI=1S/C17H22N2O/c1-17(10-20)7-13-12-4-3-5-14-16(12)11(8-18-14)6-15(13)19(2)9-17/h3-5,8,13,15,18,20H,6-7,9-10H2,1-2H3/t13-,15-,17+/m1/s1.
What are the key properties of [(6aR,9S,10aR)-7,9-dimethyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methanol?
[(6aR,9S,10aR)-7,9-dimethyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methanol has a molecular weight of 270.38 g/mol, XLogP of 2.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(6aR,9S,10aR)-7,9-dimethyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methanol is sourced from PubChem (CID 70622855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).