(6aR)-5-ethoxy-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline

C16H20N2O — CID 67571263

IUPAC(6aR)-5-ethoxy-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline
SMILESCCOc1[nH]c2cccc3c2c1C[C@H]1NCCCC31
InChIInChI=1S/C16H20N2O/c1-2-19-16-12-9-14-10(6-4-8-17-14)11-5-3-7-13(18-16)15(11)12/h3,5,7,10,14,17-18H,2,4,6,8-9H2,1H3/t10?,14-/m1/s1
InChIKeyOMUADAKSKBKVPH-LNUXAPHWSA-N
MW256.35 g/mol
LogP2.96
Rot. Bonds2

About (6aR)-5-ethoxy-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline

(6aR)-5-ethoxy-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline (PubChem CID 67571263) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is (6aR)-5-ethoxy-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline.

Molecular Properties

Compound Name(6aR)-5-ethoxy-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline
PubChem CID67571263
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name(6aR)-5-ethoxy-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline
SMILESCCOc1[nH]c2cccc3c2c1C[C@H]1NCCCC31
InChIInChI=1S/C16H20N2O/c1-2-19-16-12-9-14-10(6-4-8-17-14)11-5-3-7-13(18-16)15(11)12/h3,5,7,10,14,17-18H,2,4,6,8-9H2,1H3/t10?,14-/m1/s1
InChIKeyOMUADAKSKBKVPH-LNUXAPHWSA-N
XLogP2.96
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (6aR)-5-ethoxy-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline with MolForge

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Related Compounds

(6aR)-5-propoxy-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline
CID 54164503
(6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-5-carbaldehyde
CID 88506814
(6aR,10aR)-5-ethenyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline
CID 57138620
ethyl N-[[(6aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-5-yl]methyl]-N-[methyl(propan-2-yl)carbamoyl]carbamate
CID 70424226
CID 67851799
CID 67851799
(6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline;ethane-1,2-diamine
CID 175449167
(6aR,10aR)-4-fluoro-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinoline
CID 67754280
(6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-5,9-diol
CID 57174499
2-ethoxy-6-[(2S)-pyrrolidin-2-yl]phenol
CID 131597321
[(6aS)-6-prop-2-enyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-5-yl]methanethiol
CID 87704117
(4aS,10bR)-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-b]pyridin-7-ol
CID 14151587
(6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline;3-[(6aR,9S,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea
CID 70480193

Frequently Asked Questions

What is the IUPAC name of (6aR)-5-ethoxy-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline?
The IUPAC name of (6aR)-5-ethoxy-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline (CID 67571263) is (6aR)-5-ethoxy-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline.
What is the SMILES notation for (6aR)-5-ethoxy-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline?
The canonical SMILES for (6aR)-5-ethoxy-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline is CCOc1[nH]c2cccc3c2c1C[C@H]1NCCCC31.
What is the InChIKey of (6aR)-5-ethoxy-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline?
The InChIKey is OMUADAKSKBKVPH-LNUXAPHWSA-N. The full InChI is InChI=1S/C16H20N2O/c1-2-19-16-12-9-14-10(6-4-8-17-14)11-5-3-7-13(18-16)15(11)12/h3,5,7,10,14,17-18H,2,4,6,8-9H2,1H3/t10?,14-/m1/s1.
What are the key properties of (6aR)-5-ethoxy-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline?
(6aR)-5-ethoxy-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline has a molecular weight of 256.35 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-5-ethoxy-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline is sourced from PubChem (CID 67571263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).