9-methoxy-2,3,4,4a,6,7,11b,12,13,13a-decahydro-1H-isoquinolino[2,1-a]quinoline

C18H25NO — CID 23261897

IUPAC9-methoxy-2,3,4,4a,6,7,11b,12,13,13a-decahydro-1H-isoquinolino[2,1-a]quinoline
SMILESCOc1ccc2c(c1)CCN1C2CCC2CCCCC21
InChIInChI=1S/C18H25NO/c1-20-15-7-8-16-14(12-15)10-11-19-17-5-3-2-4-13(17)6-9-18(16)19/h7-8,12-13,17-18H,2-6,9-11H2,1H3
InChIKeyHIPVRXZFBNQORR-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.95
Rot. Bonds1

About 9-methoxy-2,3,4,4a,6,7,11b,12,13,13a-decahydro-1H-isoquinolino[2,1-a]quinoline

9-methoxy-2,3,4,4a,6,7,11b,12,13,13a-decahydro-1H-isoquinolino[2,1-a]quinoline (PubChem CID 23261897) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 9-methoxy-2,3,4,4a,6,7,11b,12,13,13a-decahydro-1H-isoquinolino[2,1-a]quinoline.

Molecular Properties

Compound Name9-methoxy-2,3,4,4a,6,7,11b,12,13,13a-decahydro-1H-isoquinolino[2,1-a]quinoline
PubChem CID23261897
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name9-methoxy-2,3,4,4a,6,7,11b,12,13,13a-decahydro-1H-isoquinolino[2,1-a]quinoline
SMILESCOc1ccc2c(c1)CCN1C2CCC2CCCCC21
InChIInChI=1S/C18H25NO/c1-20-15-7-8-16-14(12-15)10-11-19-17-5-3-2-4-13(17)6-9-18(16)19/h7-8,12-13,17-18H,2-6,9-11H2,1H3
InChIKeyHIPVRXZFBNQORR-UHFFFAOYSA-N
XLogP3.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-methoxy-2,3,4,4a,6,7,11b,12,13,13a-decahydro-1H-isoquinolino[2,1-a]quinoline with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-2,3,4,4a,6,7,11b,12,13,13a-decahydro-1H-isoquinolino[2,1-a]quinoline?
The IUPAC name of 9-methoxy-2,3,4,4a,6,7,11b,12,13,13a-decahydro-1H-isoquinolino[2,1-a]quinoline (CID 23261897) is 9-methoxy-2,3,4,4a,6,7,11b,12,13,13a-decahydro-1H-isoquinolino[2,1-a]quinoline.
What is the SMILES notation for 9-methoxy-2,3,4,4a,6,7,11b,12,13,13a-decahydro-1H-isoquinolino[2,1-a]quinoline?
The canonical SMILES for 9-methoxy-2,3,4,4a,6,7,11b,12,13,13a-decahydro-1H-isoquinolino[2,1-a]quinoline is COc1ccc2c(c1)CCN1C2CCC2CCCCC21.
What is the InChIKey of 9-methoxy-2,3,4,4a,6,7,11b,12,13,13a-decahydro-1H-isoquinolino[2,1-a]quinoline?
The InChIKey is HIPVRXZFBNQORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-20-15-7-8-16-14(12-15)10-11-19-17-5-3-2-4-13(17)6-9-18(16)19/h7-8,12-13,17-18H,2-6,9-11H2,1H3.
What are the key properties of 9-methoxy-2,3,4,4a,6,7,11b,12,13,13a-decahydro-1H-isoquinolino[2,1-a]quinoline?
9-methoxy-2,3,4,4a,6,7,11b,12,13,13a-decahydro-1H-isoquinolino[2,1-a]quinoline has a molecular weight of 271.40 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-2,3,4,4a,6,7,11b,12,13,13a-decahydro-1H-isoquinolino[2,1-a]quinoline is sourced from PubChem (CID 23261897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).