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

C17H22N2O — CID 54164503

IUPAC(6aR)-5-propoxy-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline
SMILESCCCOc1[nH]c2cccc3c2c1C[C@H]1NCCCC31
InChIInChI=1S/C17H22N2O/c1-2-9-20-17-13-10-15-11(6-4-8-18-15)12-5-3-7-14(19-17)16(12)13/h3,5,7,11,15,18-19H,2,4,6,8-10H2,1H3/t11?,15-/m1/s1
InChIKeyOQRYWBXCUMDVSX-JOPIAHFSSA-N
MW270.38 g/mol
LogP3.35
Rot. Bonds3

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

(6aR)-5-propoxy-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline (PubChem CID 54164503) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is (6aR)-5-propoxy-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline.

Molecular Properties

Compound Name(6aR)-5-propoxy-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline
PubChem CID54164503
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name(6aR)-5-propoxy-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline
SMILESCCCOc1[nH]c2cccc3c2c1C[C@H]1NCCCC31
InChIInChI=1S/C17H22N2O/c1-2-9-20-17-13-10-15-11(6-4-8-18-15)12-5-3-7-14(19-17)16(12)13/h3,5,7,11,15,18-19H,2,4,6,8-10H2,1H3/t11?,15-/m1/s1
InChIKeyOQRYWBXCUMDVSX-JOPIAHFSSA-N
XLogP3.35
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Frequently Asked Questions

What is the IUPAC name of (6aR)-5-propoxy-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline?
The IUPAC name of (6aR)-5-propoxy-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline (CID 54164503) is (6aR)-5-propoxy-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline.
What is the SMILES notation for (6aR)-5-propoxy-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline?
The canonical SMILES for (6aR)-5-propoxy-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline is CCCOc1[nH]c2cccc3c2c1C[C@H]1NCCCC31.
What is the InChIKey of (6aR)-5-propoxy-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline?
The InChIKey is OQRYWBXCUMDVSX-JOPIAHFSSA-N. The full InChI is InChI=1S/C17H22N2O/c1-2-9-20-17-13-10-15-11(6-4-8-18-15)12-5-3-7-14(19-17)16(12)13/h3,5,7,11,15,18-19H,2,4,6,8-10H2,1H3/t11?,15-/m1/s1.
What are the key properties of (6aR)-5-propoxy-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline?
(6aR)-5-propoxy-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline has a molecular weight of 270.38 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-5-propoxy-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline is sourced from PubChem (CID 54164503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).