11-methoxy-6-methyl-7,8,8a,12a-tetrahydro-6aH-benzo[a]phenanthridine

C19H21NO — CID 19824111

IUPAC11-methoxy-6-methyl-7,8,8a,12a-tetrahydro-6aH-benzo[a]phenanthridine
SMILESCOC1=CC2C3=c4ccccc4=CN(C)C3CCC2C=C1
InChIInChI=1S/C19H21NO/c1-20-12-14-5-3-4-6-16(14)19-17-11-15(21-2)9-7-13(17)8-10-18(19)20/h3-7,9,11-13,17-18H,8,10H2,1-2H3
InChIKeyZBANWFGCIKUOSC-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.02
Rot. Bonds1

About 11-methoxy-6-methyl-7,8,8a,12a-tetrahydro-6aH-benzo[a]phenanthridine

11-methoxy-6-methyl-7,8,8a,12a-tetrahydro-6aH-benzo[a]phenanthridine (PubChem CID 19824111) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 11-methoxy-6-methyl-7,8,8a,12a-tetrahydro-6aH-benzo[a]phenanthridine.

Molecular Properties

Compound Name11-methoxy-6-methyl-7,8,8a,12a-tetrahydro-6aH-benzo[a]phenanthridine
PubChem CID19824111
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name11-methoxy-6-methyl-7,8,8a,12a-tetrahydro-6aH-benzo[a]phenanthridine
SMILESCOC1=CC2C3=c4ccccc4=CN(C)C3CCC2C=C1
InChIInChI=1S/C19H21NO/c1-20-12-14-5-3-4-6-16(14)19-17-11-15(21-2)9-7-13(17)8-10-18(19)20/h3-7,9,11-13,17-18H,8,10H2,1-2H3
InChIKeyZBANWFGCIKUOSC-UHFFFAOYSA-N
XLogP2.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11-methoxy-6-methyl-7,8,8a,12a-tetrahydro-6aH-benzo[a]phenanthridine?
The IUPAC name of 11-methoxy-6-methyl-7,8,8a,12a-tetrahydro-6aH-benzo[a]phenanthridine (CID 19824111) is 11-methoxy-6-methyl-7,8,8a,12a-tetrahydro-6aH-benzo[a]phenanthridine.
What is the SMILES notation for 11-methoxy-6-methyl-7,8,8a,12a-tetrahydro-6aH-benzo[a]phenanthridine?
The canonical SMILES for 11-methoxy-6-methyl-7,8,8a,12a-tetrahydro-6aH-benzo[a]phenanthridine is COC1=CC2C3=c4ccccc4=CN(C)C3CCC2C=C1.
What is the InChIKey of 11-methoxy-6-methyl-7,8,8a,12a-tetrahydro-6aH-benzo[a]phenanthridine?
The InChIKey is ZBANWFGCIKUOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-20-12-14-5-3-4-6-16(14)19-17-11-15(21-2)9-7-13(17)8-10-18(19)20/h3-7,9,11-13,17-18H,8,10H2,1-2H3.
What are the key properties of 11-methoxy-6-methyl-7,8,8a,12a-tetrahydro-6aH-benzo[a]phenanthridine?
11-methoxy-6-methyl-7,8,8a,12a-tetrahydro-6aH-benzo[a]phenanthridine has a molecular weight of 279.38 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methoxy-6-methyl-7,8,8a,12a-tetrahydro-6aH-benzo[a]phenanthridine is sourced from PubChem (CID 19824111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).