2H-pyrrolo[3,4-b]quinoline;hydrochloride

C11H9ClN2 — CID 69479066

IUPAC2H-pyrrolo[3,4-b]quinoline;hydrochloride
SMILESCl.c1ccc2nc3c[nH]cc3cc2c1
InChIInChI=1S/C11H8N2.ClH/c1-2-4-10-8(3-1)5-9-6-12-7-11(9)13-10;/h1-7,12H;1H
InChIKeyNQQZVLXPRFFVNV-UHFFFAOYSA-N
MW204.66 g/mol
LogP3.14
Rot. Bonds

About 2H-pyrrolo[3,4-b]quinoline;hydrochloride

2H-pyrrolo[3,4-b]quinoline;hydrochloride (PubChem CID 69479066) has the molecular formula C11H9ClN2 and a molecular weight of 204.66 g/mol. Its IUPAC name is 2H-pyrrolo[3,4-b]quinoline;hydrochloride.

Molecular Properties

Compound Name2H-pyrrolo[3,4-b]quinoline;hydrochloride
PubChem CID69479066
Molecular FormulaC11H9ClN2
Molecular Weight204.66 g/mol
Exact Mass204.05
IUPAC Name2H-pyrrolo[3,4-b]quinoline;hydrochloride
SMILESCl.c1ccc2nc3c[nH]cc3cc2c1
InChIInChI=1S/C11H8N2.ClH/c1-2-4-10-8(3-1)5-9-6-12-7-11(9)13-10;/h1-7,12H;1H
InChIKeyNQQZVLXPRFFVNV-UHFFFAOYSA-N
XLogP3.14
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2H-pyrrolo[3,4-b]quinoline;hydrochloride?
The IUPAC name of 2H-pyrrolo[3,4-b]quinoline;hydrochloride (CID 69479066) is 2H-pyrrolo[3,4-b]quinoline;hydrochloride.
What is the SMILES notation for 2H-pyrrolo[3,4-b]quinoline;hydrochloride?
The canonical SMILES for 2H-pyrrolo[3,4-b]quinoline;hydrochloride is Cl.c1ccc2nc3c[nH]cc3cc2c1.
What is the InChIKey of 2H-pyrrolo[3,4-b]quinoline;hydrochloride?
The InChIKey is NQQZVLXPRFFVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2.ClH/c1-2-4-10-8(3-1)5-9-6-12-7-11(9)13-10;/h1-7,12H;1H.
What are the key properties of 2H-pyrrolo[3,4-b]quinoline;hydrochloride?
2H-pyrrolo[3,4-b]quinoline;hydrochloride has a molecular weight of 204.66 g/mol, XLogP of 3.14, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyrrolo[3,4-b]quinoline;hydrochloride is sourced from PubChem (CID 69479066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).