(6aR,10aS)-7-propyl-6a,8,9,10,10a,11-hexahydro-6H-[1,3]benzodioxolo[7,6-g]quinolin-11-ol

C17H23NO3 — CID 155327377

IUPAC(6aR,10aS)-7-propyl-6a,8,9,10,10a,11-hexahydro-6H-[1,3]benzodioxolo[7,6-g]quinolin-11-ol
SMILESCCCN1CCC[C@@H]2C(O)c3c(ccc4c3OCO4)C[C@H]21
InChIInChI=1S/C17H23NO3/c1-2-7-18-8-3-4-12-13(18)9-11-5-6-14-17(21-10-20-14)15(11)16(12)19/h5-6,12-13,16,19H,2-4,7-10H2,1H3/t12-,13+,16?/m0/s1
InChIKeyKZEHISRKQQIXMT-FTLRAWMYSA-N
MW289.37 g/mol
LogP2.50
Rot. Bonds2

About (6aR,10aS)-7-propyl-6a,8,9,10,10a,11-hexahydro-6H-[1,3]benzodioxolo[7,6-g]quinolin-11-ol

(6aR,10aS)-7-propyl-6a,8,9,10,10a,11-hexahydro-6H-[1,3]benzodioxolo[7,6-g]quinolin-11-ol (PubChem CID 155327377) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is (6aR,10aS)-7-propyl-6a,8,9,10,10a,11-hexahydro-6H-[1,3]benzodioxolo[7,6-g]quinolin-11-ol.

Molecular Properties

Compound Name(6aR,10aS)-7-propyl-6a,8,9,10,10a,11-hexahydro-6H-[1,3]benzodioxolo[7,6-g]quinolin-11-ol
PubChem CID155327377
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name(6aR,10aS)-7-propyl-6a,8,9,10,10a,11-hexahydro-6H-[1,3]benzodioxolo[7,6-g]quinolin-11-ol
SMILESCCCN1CCC[C@@H]2C(O)c3c(ccc4c3OCO4)C[C@H]21
InChIInChI=1S/C17H23NO3/c1-2-7-18-8-3-4-12-13(18)9-11-5-6-14-17(21-10-20-14)15(11)16(12)19/h5-6,12-13,16,19H,2-4,7-10H2,1H3/t12-,13+,16?/m0/s1
InChIKeyKZEHISRKQQIXMT-FTLRAWMYSA-N
XLogP2.50
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6aR,10aS)-7-propyl-6a,8,9,10,10a,11-hexahydro-6H-[1,3]benzodioxolo[7,6-g]quinolin-11-ol?
The IUPAC name of (6aR,10aS)-7-propyl-6a,8,9,10,10a,11-hexahydro-6H-[1,3]benzodioxolo[7,6-g]quinolin-11-ol (CID 155327377) is (6aR,10aS)-7-propyl-6a,8,9,10,10a,11-hexahydro-6H-[1,3]benzodioxolo[7,6-g]quinolin-11-ol.
What is the SMILES notation for (6aR,10aS)-7-propyl-6a,8,9,10,10a,11-hexahydro-6H-[1,3]benzodioxolo[7,6-g]quinolin-11-ol?
The canonical SMILES for (6aR,10aS)-7-propyl-6a,8,9,10,10a,11-hexahydro-6H-[1,3]benzodioxolo[7,6-g]quinolin-11-ol is CCCN1CCC[C@@H]2C(O)c3c(ccc4c3OCO4)C[C@H]21.
What is the InChIKey of (6aR,10aS)-7-propyl-6a,8,9,10,10a,11-hexahydro-6H-[1,3]benzodioxolo[7,6-g]quinolin-11-ol?
The InChIKey is KZEHISRKQQIXMT-FTLRAWMYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-2-7-18-8-3-4-12-13(18)9-11-5-6-14-17(21-10-20-14)15(11)16(12)19/h5-6,12-13,16,19H,2-4,7-10H2,1H3/t12-,13+,16?/m0/s1.
What are the key properties of (6aR,10aS)-7-propyl-6a,8,9,10,10a,11-hexahydro-6H-[1,3]benzodioxolo[7,6-g]quinolin-11-ol?
(6aR,10aS)-7-propyl-6a,8,9,10,10a,11-hexahydro-6H-[1,3]benzodioxolo[7,6-g]quinolin-11-ol has a molecular weight of 289.37 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,10aS)-7-propyl-6a,8,9,10,10a,11-hexahydro-6H-[1,3]benzodioxolo[7,6-g]quinolin-11-ol is sourced from PubChem (CID 155327377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).