7-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine

C13H13IN2 — CID 62202165

IUPAC7-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
SMILESCNc1c2c(nc3ccc(I)cc13)CCC2
InChIInChI=1S/C13H13IN2/c1-15-13-9-3-2-4-11(9)16-12-6-5-8(14)7-10(12)13/h5-7H,2-4H2,1H3,(H,15,16)
InChIKeyGSLVPWJQXYJVRF-UHFFFAOYSA-N
MW324.17 g/mol
LogP3.37
Rot. Bonds1

About 7-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine

7-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine (PubChem CID 62202165) has the molecular formula C13H13IN2 and a molecular weight of 324.17 g/mol. Its IUPAC name is 7-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine.

Molecular Properties

Compound Name7-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
PubChem CID62202165
Molecular FormulaC13H13IN2
Molecular Weight324.17 g/mol
Exact Mass324.01
IUPAC Name7-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
SMILESCNc1c2c(nc3ccc(I)cc13)CCC2
InChIInChI=1S/C13H13IN2/c1-15-13-9-3-2-4-11(9)16-12-6-5-8(14)7-10(12)13/h5-7H,2-4H2,1H3,(H,15,16)
InChIKeyGSLVPWJQXYJVRF-UHFFFAOYSA-N
XLogP3.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 7-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine 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-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
The IUPAC name of 7-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine (CID 62202165) is 7-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine.
What is the SMILES notation for 7-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
The canonical SMILES for 7-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine is CNc1c2c(nc3ccc(I)cc13)CCC2.
What is the InChIKey of 7-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
The InChIKey is GSLVPWJQXYJVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13IN2/c1-15-13-9-3-2-4-11(9)16-12-6-5-8(14)7-10(12)13/h5-7H,2-4H2,1H3,(H,15,16).
What are the key properties of 7-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
7-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine has a molecular weight of 324.17 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine is sourced from PubChem (CID 62202165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).