11-methoxy-6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine

C18H19NO — CID 19824113

IUPAC11-methoxy-6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine
SMILESCOC1=CC2C3=c4ccccc4=CNC3CCC2C=C1
InChIInChI=1S/C18H19NO/c1-20-14-8-6-12-7-9-17-18(16(12)10-14)15-5-3-2-4-13(15)11-19-17/h2-6,8,10-12,16-17,19H,7,9H2,1H3
InChIKeyPRWCNESWNYRIBB-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.67
Rot. Bonds1

About 11-methoxy-6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine

11-methoxy-6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine (PubChem CID 19824113) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 11-methoxy-6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine.

Molecular Properties

Compound Name11-methoxy-6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine
PubChem CID19824113
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name11-methoxy-6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine
SMILESCOC1=CC2C3=c4ccccc4=CNC3CCC2C=C1
InChIInChI=1S/C18H19NO/c1-20-14-8-6-12-7-9-17-18(16(12)10-14)15-5-3-2-4-13(15)11-19-17/h2-6,8,10-12,16-17,19H,7,9H2,1H3
InChIKeyPRWCNESWNYRIBB-UHFFFAOYSA-N
XLogP1.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

11-methoxy-6-methyl-7,8,8a,12a-tetrahydro-6aH-benzo[a]phenanthridine;hydrochloride
CID 19824110
11-methoxy-6-methyl-7,8,8a,12a-tetrahydro-6aH-benzo[a]phenanthridine
CID 19824111
11-Methoxy-6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine;hydrochloride
CID 19824112
3-[3-(6-Methoxy-1,8a-dihydroquinolin-4-yl)-2-methylpropyl]-4-methylhex-5-en-1-amine
CID 143394968

Frequently Asked Questions

What is the IUPAC name of 11-methoxy-6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine?
The IUPAC name of 11-methoxy-6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine (CID 19824113) is 11-methoxy-6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine.
What is the SMILES notation for 11-methoxy-6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine?
The canonical SMILES for 11-methoxy-6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine is COC1=CC2C3=c4ccccc4=CNC3CCC2C=C1.
What is the InChIKey of 11-methoxy-6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine?
The InChIKey is PRWCNESWNYRIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-20-14-8-6-12-7-9-17-18(16(12)10-14)15-5-3-2-4-13(15)11-19-17/h2-6,8,10-12,16-17,19H,7,9H2,1H3.
What are the key properties of 11-methoxy-6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine?
11-methoxy-6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine has a molecular weight of 265.36 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methoxy-6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine is sourced from PubChem (CID 19824113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).