7,10-dimethoxy-1,2,3,4,4a,5,6,10-octahydrobenzo[f]quinoline;hydrochloride

C15H22ClNO2 — CID 70498149

IUPAC7,10-dimethoxy-1,2,3,4,4a,5,6,10-octahydrobenzo[f]quinoline;hydrochloride
SMILESCOC1=C2CCC3NCCCC3=C2C(OC)C=C1.Cl
InChIInChI=1S/C15H21NO2.ClH/c1-17-13-7-8-14(18-2)15-10-4-3-9-16-12(10)6-5-11(13)15;/h7-8,12,14,16H,3-6,9H2,1-2H3;1H
InChIKeyCIUSPFVQQPRFDB-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.74
Rot. Bonds2

About 7,10-dimethoxy-1,2,3,4,4a,5,6,10-octahydrobenzo[f]quinoline;hydrochloride

7,10-dimethoxy-1,2,3,4,4a,5,6,10-octahydrobenzo[f]quinoline;hydrochloride (PubChem CID 70498149) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 7,10-dimethoxy-1,2,3,4,4a,5,6,10-octahydrobenzo[f]quinoline;hydrochloride.

Molecular Properties

Compound Name7,10-dimethoxy-1,2,3,4,4a,5,6,10-octahydrobenzo[f]quinoline;hydrochloride
PubChem CID70498149
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name7,10-dimethoxy-1,2,3,4,4a,5,6,10-octahydrobenzo[f]quinoline;hydrochloride
SMILESCOC1=C2CCC3NCCCC3=C2C(OC)C=C1.Cl
InChIInChI=1S/C15H21NO2.ClH/c1-17-13-7-8-14(18-2)15-10-4-3-9-16-12(10)6-5-11(13)15;/h7-8,12,14,16H,3-6,9H2,1-2H3;1H
InChIKeyCIUSPFVQQPRFDB-UHFFFAOYSA-N
XLogP2.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,10-dimethoxy-1,2,3,4,4a,5,6,10-octahydrobenzo[f]quinoline;hydrochloride?
The IUPAC name of 7,10-dimethoxy-1,2,3,4,4a,5,6,10-octahydrobenzo[f]quinoline;hydrochloride (CID 70498149) is 7,10-dimethoxy-1,2,3,4,4a,5,6,10-octahydrobenzo[f]quinoline;hydrochloride.
What is the SMILES notation for 7,10-dimethoxy-1,2,3,4,4a,5,6,10-octahydrobenzo[f]quinoline;hydrochloride?
The canonical SMILES for 7,10-dimethoxy-1,2,3,4,4a,5,6,10-octahydrobenzo[f]quinoline;hydrochloride is COC1=C2CCC3NCCCC3=C2C(OC)C=C1.Cl.
What is the InChIKey of 7,10-dimethoxy-1,2,3,4,4a,5,6,10-octahydrobenzo[f]quinoline;hydrochloride?
The InChIKey is CIUSPFVQQPRFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2.ClH/c1-17-13-7-8-14(18-2)15-10-4-3-9-16-12(10)6-5-11(13)15;/h7-8,12,14,16H,3-6,9H2,1-2H3;1H.
What are the key properties of 7,10-dimethoxy-1,2,3,4,4a,5,6,10-octahydrobenzo[f]quinoline;hydrochloride?
7,10-dimethoxy-1,2,3,4,4a,5,6,10-octahydrobenzo[f]quinoline;hydrochloride has a molecular weight of 283.80 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-dimethoxy-1,2,3,4,4a,5,6,10-octahydrobenzo[f]quinoline;hydrochloride is sourced from PubChem (CID 70498149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).