1-(7-chloro-6H-imidazo[4,5-f]quinolin-2-yl)-N-methylethanamine

C13H13ClN4 — CID 136503469

IUPAC1-(7-chloro-6H-imidazo[4,5-f]quinolin-2-yl)-N-methylethanamine
SMILESCNC(C)c1nc2ccc3[nH]c(Cl)ccc3c2n1
InChIInChI=1S/C13H13ClN4/c1-7(15-2)13-17-10-5-4-9-8(12(10)18-13)3-6-11(14)16-9/h3-7,15-16H,1-2H3
InChIKeyDVYIPRUWBDMIPY-UHFFFAOYSA-N
MW260.73 g/mol
LogP3.04
Rot. Bonds2

About 1-(7-chloro-6H-imidazo[4,5-f]quinolin-2-yl)-N-methylethanamine

1-(7-chloro-6H-imidazo[4,5-f]quinolin-2-yl)-N-methylethanamine (PubChem CID 136503469) has the molecular formula C13H13ClN4 and a molecular weight of 260.73 g/mol. Its IUPAC name is 1-(7-chloro-6H-imidazo[4,5-f]quinolin-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(7-chloro-6H-imidazo[4,5-f]quinolin-2-yl)-N-methylethanamine
PubChem CID136503469
Molecular FormulaC13H13ClN4
Molecular Weight260.73 g/mol
Exact Mass260.08
IUPAC Name1-(7-chloro-6H-imidazo[4,5-f]quinolin-2-yl)-N-methylethanamine
SMILESCNC(C)c1nc2ccc3[nH]c(Cl)ccc3c2n1
InChIInChI=1S/C13H13ClN4/c1-7(15-2)13-17-10-5-4-9-8(12(10)18-13)3-6-11(14)16-9/h3-7,15-16H,1-2H3
InChIKeyDVYIPRUWBDMIPY-UHFFFAOYSA-N
XLogP3.04
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.73
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-(7-chloro-6H-imidazo[4,5-f]quinolin-2-yl)-N-methylethanamine 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 1-(7-chloro-6H-imidazo[4,5-f]quinolin-2-yl)-N-methylethanamine?
The IUPAC name of 1-(7-chloro-6H-imidazo[4,5-f]quinolin-2-yl)-N-methylethanamine (CID 136503469) is 1-(7-chloro-6H-imidazo[4,5-f]quinolin-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(7-chloro-6H-imidazo[4,5-f]quinolin-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(7-chloro-6H-imidazo[4,5-f]quinolin-2-yl)-N-methylethanamine is CNC(C)c1nc2ccc3[nH]c(Cl)ccc3c2n1.
What is the InChIKey of 1-(7-chloro-6H-imidazo[4,5-f]quinolin-2-yl)-N-methylethanamine?
The InChIKey is DVYIPRUWBDMIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4/c1-7(15-2)13-17-10-5-4-9-8(12(10)18-13)3-6-11(14)16-9/h3-7,15-16H,1-2H3.
What are the key properties of 1-(7-chloro-6H-imidazo[4,5-f]quinolin-2-yl)-N-methylethanamine?
1-(7-chloro-6H-imidazo[4,5-f]quinolin-2-yl)-N-methylethanamine has a molecular weight of 260.73 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-6H-imidazo[4,5-f]quinolin-2-yl)-N-methylethanamine is sourced from PubChem (CID 136503469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).