3-amino-6,7,8,9-tetrahydroquinolizin-4-one;hydrochloride

C9H13ClN2O — CID 155821872

IUPAC3-amino-6,7,8,9-tetrahydroquinolizin-4-one;hydrochloride
SMILESCl.Nc1ccc2n(c1=O)CCCC2
InChIInChI=1S/C9H12N2O.ClH/c10-8-5-4-7-3-1-2-6-11(7)9(8)12;/h4-5H,1-3,6,10H2;1H
InChIKeyTVBUBIZLBHFVHV-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.19
Rot. Bonds

About 3-amino-6,7,8,9-tetrahydroquinolizin-4-one;hydrochloride

3-amino-6,7,8,9-tetrahydroquinolizin-4-one;hydrochloride (PubChem CID 155821872) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 3-amino-6,7,8,9-tetrahydroquinolizin-4-one;hydrochloride.

Molecular Properties

Compound Name3-amino-6,7,8,9-tetrahydroquinolizin-4-one;hydrochloride
PubChem CID155821872
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name3-amino-6,7,8,9-tetrahydroquinolizin-4-one;hydrochloride
SMILESCl.Nc1ccc2n(c1=O)CCCC2
InChIInChI=1S/C9H12N2O.ClH/c10-8-5-4-7-3-1-2-6-11(7)9(8)12;/h4-5H,1-3,6,10H2;1H
InChIKeyTVBUBIZLBHFVHV-UHFFFAOYSA-N
XLogP1.19
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6,7,8,9-tetrahydroquinolizin-4-one;hydrochloride?
The IUPAC name of 3-amino-6,7,8,9-tetrahydroquinolizin-4-one;hydrochloride (CID 155821872) is 3-amino-6,7,8,9-tetrahydroquinolizin-4-one;hydrochloride.
What is the SMILES notation for 3-amino-6,7,8,9-tetrahydroquinolizin-4-one;hydrochloride?
The canonical SMILES for 3-amino-6,7,8,9-tetrahydroquinolizin-4-one;hydrochloride is Cl.Nc1ccc2n(c1=O)CCCC2.
What is the InChIKey of 3-amino-6,7,8,9-tetrahydroquinolizin-4-one;hydrochloride?
The InChIKey is TVBUBIZLBHFVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.ClH/c10-8-5-4-7-3-1-2-6-11(7)9(8)12;/h4-5H,1-3,6,10H2;1H.
What are the key properties of 3-amino-6,7,8,9-tetrahydroquinolizin-4-one;hydrochloride?
3-amino-6,7,8,9-tetrahydroquinolizin-4-one;hydrochloride has a molecular weight of 200.67 g/mol, XLogP of 1.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6,7,8,9-tetrahydroquinolizin-4-one;hydrochloride is sourced from PubChem (CID 155821872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).