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

C14H20ClNO — CID 70485368

IUPAC10-methoxy-1,2,3,4,4a,5,6,10-octahydrobenzo[f]quinoline;hydrochloride
SMILESCOC1C=CC=C2CCC3NCCCC3=C21.Cl
InChIInChI=1S/C14H19NO.ClH/c1-16-13-6-2-4-10-7-8-12-11(14(10)13)5-3-9-15-12;/h2,4,6,12-13,15H,3,5,7-9H2,1H3;1H
InChIKeyWYVFYRXZMNBYOF-UHFFFAOYSA-N
MW253.77 g/mol
LogP2.76
Rot. Bonds1

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

10-methoxy-1,2,3,4,4a,5,6,10-octahydrobenzo[f]quinoline;hydrochloride (PubChem CID 70485368) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 10-methoxy-1,2,3,4,4a,5,6,10-octahydrobenzo[f]quinoline;hydrochloride.

Molecular Properties

Compound Name10-methoxy-1,2,3,4,4a,5,6,10-octahydrobenzo[f]quinoline;hydrochloride
PubChem CID70485368
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name10-methoxy-1,2,3,4,4a,5,6,10-octahydrobenzo[f]quinoline;hydrochloride
SMILESCOC1C=CC=C2CCC3NCCCC3=C21.Cl
InChIInChI=1S/C14H19NO.ClH/c1-16-13-6-2-4-10-7-8-12-11(14(10)13)5-3-9-15-12;/h2,4,6,12-13,15H,3,5,7-9H2,1H3;1H
InChIKeyWYVFYRXZMNBYOF-UHFFFAOYSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-methoxy-1,2,3,4,4a,5,6,10-octahydrobenzo[f]quinoline;hydrochloride?
The IUPAC name of 10-methoxy-1,2,3,4,4a,5,6,10-octahydrobenzo[f]quinoline;hydrochloride (CID 70485368) is 10-methoxy-1,2,3,4,4a,5,6,10-octahydrobenzo[f]quinoline;hydrochloride.
What is the SMILES notation for 10-methoxy-1,2,3,4,4a,5,6,10-octahydrobenzo[f]quinoline;hydrochloride?
The canonical SMILES for 10-methoxy-1,2,3,4,4a,5,6,10-octahydrobenzo[f]quinoline;hydrochloride is COC1C=CC=C2CCC3NCCCC3=C21.Cl.
What is the InChIKey of 10-methoxy-1,2,3,4,4a,5,6,10-octahydrobenzo[f]quinoline;hydrochloride?
The InChIKey is WYVFYRXZMNBYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO.ClH/c1-16-13-6-2-4-10-7-8-12-11(14(10)13)5-3-9-15-12;/h2,4,6,12-13,15H,3,5,7-9H2,1H3;1H.
What are the key properties of 10-methoxy-1,2,3,4,4a,5,6,10-octahydrobenzo[f]quinoline;hydrochloride?
10-methoxy-1,2,3,4,4a,5,6,10-octahydrobenzo[f]quinoline;hydrochloride has a molecular weight of 253.77 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-1,2,3,4,4a,5,6,10-octahydrobenzo[f]quinoline;hydrochloride is sourced from PubChem (CID 70485368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).