9-hydroxy-13a-methyl-3,4,4a,6,7,11b,12,13-octahydro-2H-isoquinolino[2,1-a]quinolin-1-one

C18H23NO2 — CID 162924653

IUPAC9-hydroxy-13a-methyl-3,4,4a,6,7,11b,12,13-octahydro-2H-isoquinolino[2,1-a]quinolin-1-one
SMILESCC12CCC3c4ccc(O)cc4CCN3C1CCCC2=O
InChIInChI=1S/C18H23NO2/c1-18-9-7-15-14-6-5-13(20)11-12(14)8-10-19(15)16(18)3-2-4-17(18)21/h5-6,11,15-16,20H,2-4,7-10H2,1H3
InChIKeyBYHFAHBQZDFLOS-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.21
Rot. Bonds

About 9-hydroxy-13a-methyl-3,4,4a,6,7,11b,12,13-octahydro-2H-isoquinolino[2,1-a]quinolin-1-one

9-hydroxy-13a-methyl-3,4,4a,6,7,11b,12,13-octahydro-2H-isoquinolino[2,1-a]quinolin-1-one (PubChem CID 162924653) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 9-hydroxy-13a-methyl-3,4,4a,6,7,11b,12,13-octahydro-2H-isoquinolino[2,1-a]quinolin-1-one.

Molecular Properties

Compound Name9-hydroxy-13a-methyl-3,4,4a,6,7,11b,12,13-octahydro-2H-isoquinolino[2,1-a]quinolin-1-one
PubChem CID162924653
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name9-hydroxy-13a-methyl-3,4,4a,6,7,11b,12,13-octahydro-2H-isoquinolino[2,1-a]quinolin-1-one
SMILESCC12CCC3c4ccc(O)cc4CCN3C1CCCC2=O
InChIInChI=1S/C18H23NO2/c1-18-9-7-15-14-6-5-13(20)11-12(14)8-10-19(15)16(18)3-2-4-17(18)21/h5-6,11,15-16,20H,2-4,7-10H2,1H3
InChIKeyBYHFAHBQZDFLOS-UHFFFAOYSA-N
XLogP3.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-13a-methyl-3,4,4a,6,7,11b,12,13-octahydro-2H-isoquinolino[2,1-a]quinolin-1-one?
The IUPAC name of 9-hydroxy-13a-methyl-3,4,4a,6,7,11b,12,13-octahydro-2H-isoquinolino[2,1-a]quinolin-1-one (CID 162924653) is 9-hydroxy-13a-methyl-3,4,4a,6,7,11b,12,13-octahydro-2H-isoquinolino[2,1-a]quinolin-1-one.
What is the SMILES notation for 9-hydroxy-13a-methyl-3,4,4a,6,7,11b,12,13-octahydro-2H-isoquinolino[2,1-a]quinolin-1-one?
The canonical SMILES for 9-hydroxy-13a-methyl-3,4,4a,6,7,11b,12,13-octahydro-2H-isoquinolino[2,1-a]quinolin-1-one is CC12CCC3c4ccc(O)cc4CCN3C1CCCC2=O.
What is the InChIKey of 9-hydroxy-13a-methyl-3,4,4a,6,7,11b,12,13-octahydro-2H-isoquinolino[2,1-a]quinolin-1-one?
The InChIKey is BYHFAHBQZDFLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-18-9-7-15-14-6-5-13(20)11-12(14)8-10-19(15)16(18)3-2-4-17(18)21/h5-6,11,15-16,20H,2-4,7-10H2,1H3.
What are the key properties of 9-hydroxy-13a-methyl-3,4,4a,6,7,11b,12,13-octahydro-2H-isoquinolino[2,1-a]quinolin-1-one?
9-hydroxy-13a-methyl-3,4,4a,6,7,11b,12,13-octahydro-2H-isoquinolino[2,1-a]quinolin-1-one has a molecular weight of 285.39 g/mol, XLogP of 3.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-13a-methyl-3,4,4a,6,7,11b,12,13-octahydro-2H-isoquinolino[2,1-a]quinolin-1-one is sourced from PubChem (CID 162924653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).