7-bromo-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride

C12H12BrClN2 — CID 164610387

IUPAC7-bromo-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride
SMILESCl.Nc1c2c(nc3ccc(Br)cc13)CCC2
InChIInChI=1S/C12H11BrN2.ClH/c13-7-4-5-11-9(6-7)12(14)8-2-1-3-10(8)15-11;/h4-6H,1-3H2,(H2,14,15);1H
InChIKeyLJGFHYBXHRQPEX-UHFFFAOYSA-N
MW299.60 g/mol
LogP3.49
Rot. Bonds

About 7-bromo-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride

7-bromo-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride (PubChem CID 164610387) has the molecular formula C12H12BrClN2 and a molecular weight of 299.60 g/mol. Its IUPAC name is 7-bromo-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride.

Molecular Properties

Compound Name7-bromo-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride
PubChem CID164610387
Molecular FormulaC12H12BrClN2
Molecular Weight299.60 g/mol
Exact Mass297.99
IUPAC Name7-bromo-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride
SMILESCl.Nc1c2c(nc3ccc(Br)cc13)CCC2
InChIInChI=1S/C12H11BrN2.ClH/c13-7-4-5-11-9(6-7)12(14)8-2-1-3-10(8)15-11;/h4-6H,1-3H2,(H2,14,15);1H
InChIKeyLJGFHYBXHRQPEX-UHFFFAOYSA-N
XLogP3.49
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.60
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-bromo-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride?
The IUPAC name of 7-bromo-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride (CID 164610387) is 7-bromo-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride.
What is the SMILES notation for 7-bromo-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride?
The canonical SMILES for 7-bromo-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride is Cl.Nc1c2c(nc3ccc(Br)cc13)CCC2.
What is the InChIKey of 7-bromo-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride?
The InChIKey is LJGFHYBXHRQPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2.ClH/c13-7-4-5-11-9(6-7)12(14)8-2-1-3-10(8)15-11;/h4-6H,1-3H2,(H2,14,15);1H.
What are the key properties of 7-bromo-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride?
7-bromo-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride has a molecular weight of 299.60 g/mol, XLogP of 3.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride is sourced from PubChem (CID 164610387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).