[(6aR,9S,10aS)-10a-methoxy-6,6a,7,8,9,10-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol

C16H20N2O2 — CID 70255341

IUPAC[(6aR,9S,10aS)-10a-methoxy-6,6a,7,8,9,10-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol
SMILESCO[C@]12C[C@H](CO)CN[C@@H]1Cc1c[nH]c3cccc2c13
InChIInChI=1S/C16H20N2O2/c1-20-16-6-10(9-19)7-18-14(16)5-11-8-17-13-4-2-3-12(16)15(11)13/h2-4,8,10,14,17-19H,5-7,9H2,1H3/t10-,14+,16-/m0/s1
InChIKeyXYCZJXAMCYFSDE-JJMVLAAESA-N
MW272.35 g/mol
LogP1.54
Rot. Bonds2

About [(6aR,9S,10aS)-10a-methoxy-6,6a,7,8,9,10-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol

[(6aR,9S,10aS)-10a-methoxy-6,6a,7,8,9,10-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol (PubChem CID 70255341) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is [(6aR,9S,10aS)-10a-methoxy-6,6a,7,8,9,10-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol.

Molecular Properties

Compound Name[(6aR,9S,10aS)-10a-methoxy-6,6a,7,8,9,10-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol
PubChem CID70255341
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name[(6aR,9S,10aS)-10a-methoxy-6,6a,7,8,9,10-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol
SMILESCO[C@]12C[C@H](CO)CN[C@@H]1Cc1c[nH]c3cccc2c13
InChIInChI=1S/C16H20N2O2/c1-20-16-6-10(9-19)7-18-14(16)5-11-8-17-13-4-2-3-12(16)15(11)13/h2-4,8,10,14,17-19H,5-7,9H2,1H3/t10-,14+,16-/m0/s1
InChIKeyXYCZJXAMCYFSDE-JJMVLAAESA-N
XLogP1.54
TPSA57.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(6aR,9S,10aS)-10a-methoxy-6,6a,7,8,9,10-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol?
The IUPAC name of [(6aR,9S,10aS)-10a-methoxy-6,6a,7,8,9,10-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol (CID 70255341) is [(6aR,9S,10aS)-10a-methoxy-6,6a,7,8,9,10-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol.
What is the SMILES notation for [(6aR,9S,10aS)-10a-methoxy-6,6a,7,8,9,10-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol?
The canonical SMILES for [(6aR,9S,10aS)-10a-methoxy-6,6a,7,8,9,10-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol is CO[C@]12C[C@H](CO)CN[C@@H]1Cc1c[nH]c3cccc2c13.
What is the InChIKey of [(6aR,9S,10aS)-10a-methoxy-6,6a,7,8,9,10-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol?
The InChIKey is XYCZJXAMCYFSDE-JJMVLAAESA-N. The full InChI is InChI=1S/C16H20N2O2/c1-20-16-6-10(9-19)7-18-14(16)5-11-8-17-13-4-2-3-12(16)15(11)13/h2-4,8,10,14,17-19H,5-7,9H2,1H3/t10-,14+,16-/m0/s1.
What are the key properties of [(6aR,9S,10aS)-10a-methoxy-6,6a,7,8,9,10-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol?
[(6aR,9S,10aS)-10a-methoxy-6,6a,7,8,9,10-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol has a molecular weight of 272.35 g/mol, XLogP of 1.54, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6aR,9S,10aS)-10a-methoxy-6,6a,7,8,9,10-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol is sourced from PubChem (CID 70255341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).