7,10-dimethoxy-4-methyl-2,3,4a,5,6,10-hexahydro-1H-benzo[f]quinoline;hydrochloride

C16H24ClNO2 — CID 70485567

IUPAC7,10-dimethoxy-4-methyl-2,3,4a,5,6,10-hexahydro-1H-benzo[f]quinoline;hydrochloride
SMILESCOC1=C2CCC3C(=C2C(OC)C=C1)CCCN3C.Cl
InChIInChI=1S/C16H23NO2.ClH/c1-17-10-4-5-11-13(17)7-6-12-14(18-2)8-9-15(19-3)16(11)12;/h8-9,13,15H,4-7,10H2,1-3H3;1H
InChIKeySJORAQZPUVMCLY-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.08
Rot. Bonds2

About 7,10-dimethoxy-4-methyl-2,3,4a,5,6,10-hexahydro-1H-benzo[f]quinoline;hydrochloride

7,10-dimethoxy-4-methyl-2,3,4a,5,6,10-hexahydro-1H-benzo[f]quinoline;hydrochloride (PubChem CID 70485567) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 7,10-dimethoxy-4-methyl-2,3,4a,5,6,10-hexahydro-1H-benzo[f]quinoline;hydrochloride.

Molecular Properties

Compound Name7,10-dimethoxy-4-methyl-2,3,4a,5,6,10-hexahydro-1H-benzo[f]quinoline;hydrochloride
PubChem CID70485567
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name7,10-dimethoxy-4-methyl-2,3,4a,5,6,10-hexahydro-1H-benzo[f]quinoline;hydrochloride
SMILESCOC1=C2CCC3C(=C2C(OC)C=C1)CCCN3C.Cl
InChIInChI=1S/C16H23NO2.ClH/c1-17-10-4-5-11-13(17)7-6-12-14(18-2)8-9-15(19-3)16(11)12;/h8-9,13,15H,4-7,10H2,1-3H3;1H
InChIKeySJORAQZPUVMCLY-UHFFFAOYSA-N
XLogP3.08
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,10-dimethoxy-4-methyl-2,3,4a,5,6,10-hexahydro-1H-benzo[f]quinoline;hydrochloride?
The IUPAC name of 7,10-dimethoxy-4-methyl-2,3,4a,5,6,10-hexahydro-1H-benzo[f]quinoline;hydrochloride (CID 70485567) is 7,10-dimethoxy-4-methyl-2,3,4a,5,6,10-hexahydro-1H-benzo[f]quinoline;hydrochloride.
What is the SMILES notation for 7,10-dimethoxy-4-methyl-2,3,4a,5,6,10-hexahydro-1H-benzo[f]quinoline;hydrochloride?
The canonical SMILES for 7,10-dimethoxy-4-methyl-2,3,4a,5,6,10-hexahydro-1H-benzo[f]quinoline;hydrochloride is COC1=C2CCC3C(=C2C(OC)C=C1)CCCN3C.Cl.
What is the InChIKey of 7,10-dimethoxy-4-methyl-2,3,4a,5,6,10-hexahydro-1H-benzo[f]quinoline;hydrochloride?
The InChIKey is SJORAQZPUVMCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2.ClH/c1-17-10-4-5-11-13(17)7-6-12-14(18-2)8-9-15(19-3)16(11)12;/h8-9,13,15H,4-7,10H2,1-3H3;1H.
What are the key properties of 7,10-dimethoxy-4-methyl-2,3,4a,5,6,10-hexahydro-1H-benzo[f]quinoline;hydrochloride?
7,10-dimethoxy-4-methyl-2,3,4a,5,6,10-hexahydro-1H-benzo[f]quinoline;hydrochloride has a molecular weight of 297.83 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-dimethoxy-4-methyl-2,3,4a,5,6,10-hexahydro-1H-benzo[f]quinoline;hydrochloride is sourced from PubChem (CID 70485567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).