8-ethyl-7-hydroxy-9-methoxy-2-methyl-1,3,4,4a,5,10b-hexahydrobenzo[h]isoquinolin-6-one

C17H23NO3 — CID 18361942

IUPAC8-ethyl-7-hydroxy-9-methoxy-2-methyl-1,3,4,4a,5,10b-hexahydrobenzo[h]isoquinolin-6-one
SMILESCCc1c(OC)cc2c(c1O)C(=O)CC1CCN(C)CC21
InChIInChI=1S/C17H23NO3/c1-4-11-15(21-3)8-12-13-9-18(2)6-5-10(13)7-14(19)16(12)17(11)20/h8,10,13,20H,4-7,9H2,1-3H3
InChIKeyXKPFAVXGYLJDLN-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.58
Rot. Bonds2

About 8-ethyl-7-hydroxy-9-methoxy-2-methyl-1,3,4,4a,5,10b-hexahydrobenzo[h]isoquinolin-6-one

8-ethyl-7-hydroxy-9-methoxy-2-methyl-1,3,4,4a,5,10b-hexahydrobenzo[h]isoquinolin-6-one (PubChem CID 18361942) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 8-ethyl-7-hydroxy-9-methoxy-2-methyl-1,3,4,4a,5,10b-hexahydrobenzo[h]isoquinolin-6-one.

Molecular Properties

Compound Name8-ethyl-7-hydroxy-9-methoxy-2-methyl-1,3,4,4a,5,10b-hexahydrobenzo[h]isoquinolin-6-one
PubChem CID18361942
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name8-ethyl-7-hydroxy-9-methoxy-2-methyl-1,3,4,4a,5,10b-hexahydrobenzo[h]isoquinolin-6-one
SMILESCCc1c(OC)cc2c(c1O)C(=O)CC1CCN(C)CC21
InChIInChI=1S/C17H23NO3/c1-4-11-15(21-3)8-12-13-9-18(2)6-5-10(13)7-14(19)16(12)17(11)20/h8,10,13,20H,4-7,9H2,1-3H3
InChIKeyXKPFAVXGYLJDLN-UHFFFAOYSA-N
XLogP2.58
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-7-hydroxy-9-methoxy-2-methyl-1,3,4,4a,5,10b-hexahydrobenzo[h]isoquinolin-6-one?
The IUPAC name of 8-ethyl-7-hydroxy-9-methoxy-2-methyl-1,3,4,4a,5,10b-hexahydrobenzo[h]isoquinolin-6-one (CID 18361942) is 8-ethyl-7-hydroxy-9-methoxy-2-methyl-1,3,4,4a,5,10b-hexahydrobenzo[h]isoquinolin-6-one.
What is the SMILES notation for 8-ethyl-7-hydroxy-9-methoxy-2-methyl-1,3,4,4a,5,10b-hexahydrobenzo[h]isoquinolin-6-one?
The canonical SMILES for 8-ethyl-7-hydroxy-9-methoxy-2-methyl-1,3,4,4a,5,10b-hexahydrobenzo[h]isoquinolin-6-one is CCc1c(OC)cc2c(c1O)C(=O)CC1CCN(C)CC21.
What is the InChIKey of 8-ethyl-7-hydroxy-9-methoxy-2-methyl-1,3,4,4a,5,10b-hexahydrobenzo[h]isoquinolin-6-one?
The InChIKey is XKPFAVXGYLJDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-4-11-15(21-3)8-12-13-9-18(2)6-5-10(13)7-14(19)16(12)17(11)20/h8,10,13,20H,4-7,9H2,1-3H3.
What are the key properties of 8-ethyl-7-hydroxy-9-methoxy-2-methyl-1,3,4,4a,5,10b-hexahydrobenzo[h]isoquinolin-6-one?
8-ethyl-7-hydroxy-9-methoxy-2-methyl-1,3,4,4a,5,10b-hexahydrobenzo[h]isoquinolin-6-one has a molecular weight of 289.38 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-7-hydroxy-9-methoxy-2-methyl-1,3,4,4a,5,10b-hexahydrobenzo[h]isoquinolin-6-one is sourced from PubChem (CID 18361942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).