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

C12H19ClN2 — CID 67926143

IUPAC1,2,3,6,7,8,9,9a,10,10a-decahydropyrido[2,3-g]quinoline;hydrochloride
SMILESC1=C2NCCCC2CC2NCCC=C12.Cl
InChIInChI=1S/C12H18N2.ClH/c1-3-9-7-12-10(4-2-6-14-12)8-11(9)13-5-1;/h3,7,10-11,13-14H,1-2,4-6,8H2;1H
InChIKeyYLFMQGZRUIYUML-UHFFFAOYSA-N
MW226.75 g/mol
LogP1.98
Rot. Bonds

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

1,2,3,6,7,8,9,9a,10,10a-decahydropyrido[2,3-g]quinoline;hydrochloride (PubChem CID 67926143) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is 1,2,3,6,7,8,9,9a,10,10a-decahydropyrido[2,3-g]quinoline;hydrochloride.

Molecular Properties

Compound Name1,2,3,6,7,8,9,9a,10,10a-decahydropyrido[2,3-g]quinoline;hydrochloride
PubChem CID67926143
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC Name1,2,3,6,7,8,9,9a,10,10a-decahydropyrido[2,3-g]quinoline;hydrochloride
SMILESC1=C2NCCCC2CC2NCCC=C12.Cl
InChIInChI=1S/C12H18N2.ClH/c1-3-9-7-12-10(4-2-6-14-12)8-11(9)13-5-1;/h3,7,10-11,13-14H,1-2,4-6,8H2;1H
InChIKeyYLFMQGZRUIYUML-UHFFFAOYSA-N
XLogP1.98
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,6,7,8,9,9a,10,10a-decahydropyrido[2,3-g]quinoline;hydrochloride?
The IUPAC name of 1,2,3,6,7,8,9,9a,10,10a-decahydropyrido[2,3-g]quinoline;hydrochloride (CID 67926143) is 1,2,3,6,7,8,9,9a,10,10a-decahydropyrido[2,3-g]quinoline;hydrochloride.
What is the SMILES notation for 1,2,3,6,7,8,9,9a,10,10a-decahydropyrido[2,3-g]quinoline;hydrochloride?
The canonical SMILES for 1,2,3,6,7,8,9,9a,10,10a-decahydropyrido[2,3-g]quinoline;hydrochloride is C1=C2NCCCC2CC2NCCC=C12.Cl.
What is the InChIKey of 1,2,3,6,7,8,9,9a,10,10a-decahydropyrido[2,3-g]quinoline;hydrochloride?
The InChIKey is YLFMQGZRUIYUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2.ClH/c1-3-9-7-12-10(4-2-6-14-12)8-11(9)13-5-1;/h3,7,10-11,13-14H,1-2,4-6,8H2;1H.
What are the key properties of 1,2,3,6,7,8,9,9a,10,10a-decahydropyrido[2,3-g]quinoline;hydrochloride?
1,2,3,6,7,8,9,9a,10,10a-decahydropyrido[2,3-g]quinoline;hydrochloride has a molecular weight of 226.75 g/mol, XLogP of 1.98, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,6,7,8,9,9a,10,10a-decahydropyrido[2,3-g]quinoline;hydrochloride is sourced from PubChem (CID 67926143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).