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

C18H20ClNO — CID 19824112

IUPAC11-methoxy-6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine;hydrochloride
SMILESCOC1=CC2C3=c4ccccc4=CNC3CCC2C=C1.Cl
InChIInChI=1S/C18H19NO.ClH/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;1H
InChIKeyOCQGJNNEHVRZKO-UHFFFAOYSA-N
MW301.82 g/mol
LogP2.10
Rot. Bonds1

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

11-methoxy-6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine;hydrochloride (PubChem CID 19824112) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 11-methoxy-6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine;hydrochloride.

Molecular Properties

Compound Name11-methoxy-6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine;hydrochloride
PubChem CID19824112
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name11-methoxy-6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine;hydrochloride
SMILESCOC1=CC2C3=c4ccccc4=CNC3CCC2C=C1.Cl
InChIInChI=1S/C18H19NO.ClH/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;1H
InChIKeyOCQGJNNEHVRZKO-UHFFFAOYSA-N
XLogP2.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11-methoxy-6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine;hydrochloride?
The IUPAC name of 11-methoxy-6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine;hydrochloride (CID 19824112) is 11-methoxy-6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine;hydrochloride.
What is the SMILES notation for 11-methoxy-6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine;hydrochloride?
The canonical SMILES for 11-methoxy-6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine;hydrochloride is COC1=CC2C3=c4ccccc4=CNC3CCC2C=C1.Cl.
What is the InChIKey of 11-methoxy-6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine;hydrochloride?
The InChIKey is OCQGJNNEHVRZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO.ClH/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;1H.
What are the key properties of 11-methoxy-6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine;hydrochloride?
11-methoxy-6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine;hydrochloride has a molecular weight of 301.82 g/mol, XLogP of 2.10, 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;hydrochloride is sourced from PubChem (CID 19824112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).