4-chloro-3H-imidazo[4,5-c]quinolin-2-amine

C10H7ClN4 — CID 87165995

IUPAC4-chloro-3H-imidazo[4,5-c]quinolin-2-amine
SMILESNc1nc2c([nH]1)c(Cl)nc1ccccc12
InChIInChI=1S/C10H7ClN4/c11-9-8-7(14-10(12)15-8)5-3-1-2-4-6(5)13-9/h1-4H,(H3,12,14,15)
InChIKeyOUNSXWGLPICNRT-UHFFFAOYSA-N
MW218.65 g/mol
LogP2.35
Rot. Bonds

About 4-chloro-3H-imidazo[4,5-c]quinolin-2-amine

4-chloro-3H-imidazo[4,5-c]quinolin-2-amine (PubChem CID 87165995) has the molecular formula C10H7ClN4 and a molecular weight of 218.65 g/mol. Its IUPAC name is 4-chloro-3H-imidazo[4,5-c]quinolin-2-amine.

Molecular Properties

Compound Name4-chloro-3H-imidazo[4,5-c]quinolin-2-amine
PubChem CID87165995
Molecular FormulaC10H7ClN4
Molecular Weight218.65 g/mol
Exact Mass218.04
IUPAC Name4-chloro-3H-imidazo[4,5-c]quinolin-2-amine
SMILESNc1nc2c([nH]1)c(Cl)nc1ccccc12
InChIInChI=1S/C10H7ClN4/c11-9-8-7(14-10(12)15-8)5-3-1-2-4-6(5)13-9/h1-4H,(H3,12,14,15)
InChIKeyOUNSXWGLPICNRT-UHFFFAOYSA-N
XLogP2.35
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.65
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3H-imidazo[4,5-c]quinolin-2-amine?
The IUPAC name of 4-chloro-3H-imidazo[4,5-c]quinolin-2-amine (CID 87165995) is 4-chloro-3H-imidazo[4,5-c]quinolin-2-amine.
What is the SMILES notation for 4-chloro-3H-imidazo[4,5-c]quinolin-2-amine?
The canonical SMILES for 4-chloro-3H-imidazo[4,5-c]quinolin-2-amine is Nc1nc2c([nH]1)c(Cl)nc1ccccc12.
What is the InChIKey of 4-chloro-3H-imidazo[4,5-c]quinolin-2-amine?
The InChIKey is OUNSXWGLPICNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4/c11-9-8-7(14-10(12)15-8)5-3-1-2-4-6(5)13-9/h1-4H,(H3,12,14,15).
What are the key properties of 4-chloro-3H-imidazo[4,5-c]quinolin-2-amine?
4-chloro-3H-imidazo[4,5-c]quinolin-2-amine has a molecular weight of 218.65 g/mol, XLogP of 2.35, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3H-imidazo[4,5-c]quinolin-2-amine is sourced from PubChem (CID 87165995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).