4-chloro-N,1-dimethylimidazo[4,5-c]quinolin-2-amine

C12H11ClN4 — CID 86227601

IUPAC4-chloro-N,1-dimethylimidazo[4,5-c]quinolin-2-amine
SMILESCNc1nc2c(Cl)nc3ccccc3c2n1C
InChIInChI=1S/C12H11ClN4/c1-14-12-16-9-10(17(12)2)7-5-3-4-6-8(7)15-11(9)13/h3-6H,1-2H3,(H,14,16)
InChIKeyPZESGDSBYLMBKN-UHFFFAOYSA-N
MW246.70 g/mol
LogP2.82
Rot. Bonds1

About 4-chloro-N,1-dimethylimidazo[4,5-c]quinolin-2-amine

4-chloro-N,1-dimethylimidazo[4,5-c]quinolin-2-amine (PubChem CID 86227601) has the molecular formula C12H11ClN4 and a molecular weight of 246.70 g/mol. Its IUPAC name is 4-chloro-N,1-dimethylimidazo[4,5-c]quinolin-2-amine.

Molecular Properties

Compound Name4-chloro-N,1-dimethylimidazo[4,5-c]quinolin-2-amine
PubChem CID86227601
Molecular FormulaC12H11ClN4
Molecular Weight246.70 g/mol
Exact Mass246.07
IUPAC Name4-chloro-N,1-dimethylimidazo[4,5-c]quinolin-2-amine
SMILESCNc1nc2c(Cl)nc3ccccc3c2n1C
InChIInChI=1S/C12H11ClN4/c1-14-12-16-9-10(17(12)2)7-5-3-4-6-8(7)15-11(9)13/h3-6H,1-2H3,(H,14,16)
InChIKeyPZESGDSBYLMBKN-UHFFFAOYSA-N
XLogP2.82
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-N,1-dimethylimidazo[4,5-c]quinolin-2-amine?
The IUPAC name of 4-chloro-N,1-dimethylimidazo[4,5-c]quinolin-2-amine (CID 86227601) is 4-chloro-N,1-dimethylimidazo[4,5-c]quinolin-2-amine.
What is the SMILES notation for 4-chloro-N,1-dimethylimidazo[4,5-c]quinolin-2-amine?
The canonical SMILES for 4-chloro-N,1-dimethylimidazo[4,5-c]quinolin-2-amine is CNc1nc2c(Cl)nc3ccccc3c2n1C.
What is the InChIKey of 4-chloro-N,1-dimethylimidazo[4,5-c]quinolin-2-amine?
The InChIKey is PZESGDSBYLMBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4/c1-14-12-16-9-10(17(12)2)7-5-3-4-6-8(7)15-11(9)13/h3-6H,1-2H3,(H,14,16).
What are the key properties of 4-chloro-N,1-dimethylimidazo[4,5-c]quinolin-2-amine?
4-chloro-N,1-dimethylimidazo[4,5-c]quinolin-2-amine has a molecular weight of 246.70 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,1-dimethylimidazo[4,5-c]quinolin-2-amine is sourced from PubChem (CID 86227601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).