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

C19H22ClNO — CID 19824110

IUPAC11-methoxy-6-methyl-7,8,8a,12a-tetrahydro-6aH-benzo[a]phenanthridine;hydrochloride
SMILESCOC1=CC2C3=c4ccccc4=CN(C)C3CCC2C=C1.Cl
InChIInChI=1S/C19H21NO.ClH/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;1H
InChIKeyWHMFNZMXTAILCG-UHFFFAOYSA-N
MW315.84 g/mol
LogP2.44
Rot. Bonds1

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

11-methoxy-6-methyl-7,8,8a,12a-tetrahydro-6aH-benzo[a]phenanthridine;hydrochloride (PubChem CID 19824110) has the molecular formula C19H22ClNO and a molecular weight of 315.84 g/mol. Its IUPAC name is 11-methoxy-6-methyl-7,8,8a,12a-tetrahydro-6aH-benzo[a]phenanthridine;hydrochloride.

Molecular Properties

Compound Name11-methoxy-6-methyl-7,8,8a,12a-tetrahydro-6aH-benzo[a]phenanthridine;hydrochloride
PubChem CID19824110
Molecular FormulaC19H22ClNO
Molecular Weight315.84 g/mol
Exact Mass315.14
IUPAC Name11-methoxy-6-methyl-7,8,8a,12a-tetrahydro-6aH-benzo[a]phenanthridine;hydrochloride
SMILESCOC1=CC2C3=c4ccccc4=CN(C)C3CCC2C=C1.Cl
InChIInChI=1S/C19H21NO.ClH/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;1H
InChIKeyWHMFNZMXTAILCG-UHFFFAOYSA-N
XLogP2.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 52.44
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;hydrochloride?
The IUPAC name of 11-methoxy-6-methyl-7,8,8a,12a-tetrahydro-6aH-benzo[a]phenanthridine;hydrochloride (CID 19824110) is 11-methoxy-6-methyl-7,8,8a,12a-tetrahydro-6aH-benzo[a]phenanthridine;hydrochloride.
What is the SMILES notation for 11-methoxy-6-methyl-7,8,8a,12a-tetrahydro-6aH-benzo[a]phenanthridine;hydrochloride?
The canonical SMILES for 11-methoxy-6-methyl-7,8,8a,12a-tetrahydro-6aH-benzo[a]phenanthridine;hydrochloride is COC1=CC2C3=c4ccccc4=CN(C)C3CCC2C=C1.Cl.
What is the InChIKey of 11-methoxy-6-methyl-7,8,8a,12a-tetrahydro-6aH-benzo[a]phenanthridine;hydrochloride?
The InChIKey is WHMFNZMXTAILCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO.ClH/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;1H.
What are the key properties of 11-methoxy-6-methyl-7,8,8a,12a-tetrahydro-6aH-benzo[a]phenanthridine;hydrochloride?
11-methoxy-6-methyl-7,8,8a,12a-tetrahydro-6aH-benzo[a]phenanthridine;hydrochloride has a molecular weight of 315.84 g/mol, XLogP of 2.44, 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;hydrochloride is sourced from PubChem (CID 19824110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).