1,6,7,8,9,9a,10,10a-octahydropyrido[2,3-g]quinoline;hydrochloride

C12H17ClN2 — CID 67926156

IUPAC1,6,7,8,9,9a,10,10a-octahydropyrido[2,3-g]quinoline;hydrochloride
SMILESC1=CNC2CC3CCCNC3=CC2=C1.Cl
InChIInChI=1S/C12H16N2.ClH/c1-3-9-7-12-10(4-2-6-14-12)8-11(9)13-5-1;/h1,3,5,7,10-11,13-14H,2,4,6,8H2;1H
InChIKeyRVEMJQNXHYNEIH-UHFFFAOYSA-N
MW224.73 g/mol
LogP2.11
Rot. Bonds

About 1,6,7,8,9,9a,10,10a-octahydropyrido[2,3-g]quinoline;hydrochloride

1,6,7,8,9,9a,10,10a-octahydropyrido[2,3-g]quinoline;hydrochloride (PubChem CID 67926156) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 1,6,7,8,9,9a,10,10a-octahydropyrido[2,3-g]quinoline;hydrochloride.

Molecular Properties

Compound Name1,6,7,8,9,9a,10,10a-octahydropyrido[2,3-g]quinoline;hydrochloride
PubChem CID67926156
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name1,6,7,8,9,9a,10,10a-octahydropyrido[2,3-g]quinoline;hydrochloride
SMILESC1=CNC2CC3CCCNC3=CC2=C1.Cl
InChIInChI=1S/C12H16N2.ClH/c1-3-9-7-12-10(4-2-6-14-12)8-11(9)13-5-1;/h1,3,5,7,10-11,13-14H,2,4,6,8H2;1H
InChIKeyRVEMJQNXHYNEIH-UHFFFAOYSA-N
XLogP2.11
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Octahydrobenzo(f)quinoline
CID 67192496
Octahydrobenz[h]isoquinoline
CID 56633701
Octahydrobenzoquinoline
CID 67195051
Octahydrobenzo[g]quinoline
CID 69368048
Octahydro-benz[g]isochinoline
CID 129648171
trans-Octahydrobenzo(f)quinoline
CID 129670051
trans-Octahydrobenzo[g]quinoline
CID 129712244
Octahydrodibenzoquinoline
CID 129724134
2-[2-(Fluoromethyl)piperidin-4-yl]-1,2-dihydropyridine
CID 69107961
2-(4-Fluorocyclohexen-1-yl)-1,2,3,4,8,8a-hexahydroquinolin-6-amine
CID 69620460
N-[(5Z,6E)-6-(aminomethylidene)-3-[5-(fluoromethyl)-1,2,3,4-tetrahydropyridin-3-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085543
5-fluoro-2-[1-(6-methylpiperidin-3-yl)ethylidene]-1H-pyridine
CID 123278977

Frequently Asked Questions

What is the IUPAC name of 1,6,7,8,9,9a,10,10a-octahydropyrido[2,3-g]quinoline;hydrochloride?
The IUPAC name of 1,6,7,8,9,9a,10,10a-octahydropyrido[2,3-g]quinoline;hydrochloride (CID 67926156) is 1,6,7,8,9,9a,10,10a-octahydropyrido[2,3-g]quinoline;hydrochloride.
What is the SMILES notation for 1,6,7,8,9,9a,10,10a-octahydropyrido[2,3-g]quinoline;hydrochloride?
The canonical SMILES for 1,6,7,8,9,9a,10,10a-octahydropyrido[2,3-g]quinoline;hydrochloride is C1=CNC2CC3CCCNC3=CC2=C1.Cl.
What is the InChIKey of 1,6,7,8,9,9a,10,10a-octahydropyrido[2,3-g]quinoline;hydrochloride?
The InChIKey is RVEMJQNXHYNEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2.ClH/c1-3-9-7-12-10(4-2-6-14-12)8-11(9)13-5-1;/h1,3,5,7,10-11,13-14H,2,4,6,8H2;1H.
What are the key properties of 1,6,7,8,9,9a,10,10a-octahydropyrido[2,3-g]quinoline;hydrochloride?
1,6,7,8,9,9a,10,10a-octahydropyrido[2,3-g]quinoline;hydrochloride has a molecular weight of 224.73 g/mol, XLogP of 2.11, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,7,8,9,9a,10,10a-octahydropyrido[2,3-g]quinoline;hydrochloride is sourced from PubChem (CID 67926156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).