5-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]quinoline

C16H11ClN4 — CID 79273482

IUPAC5-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]quinoline
SMILESClCc1nc2cnccc2n1-c1cccc2ncccc12
InChIInChI=1S/C16H11ClN4/c17-9-16-20-13-10-18-8-6-15(13)21(16)14-5-1-4-12-11(14)3-2-7-19-12/h1-8,10H,9H2
InChIKeyUKLGSPDOEGEKMP-UHFFFAOYSA-N
MW294.75 g/mol
LogP3.71
Rot. Bonds2

About 5-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]quinoline

5-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]quinoline (PubChem CID 79273482) has the molecular formula C16H11ClN4 and a molecular weight of 294.75 g/mol. Its IUPAC name is 5-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]quinoline.

Molecular Properties

Compound Name5-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]quinoline
PubChem CID79273482
Molecular FormulaC16H11ClN4
Molecular Weight294.75 g/mol
Exact Mass294.07
IUPAC Name5-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]quinoline
SMILESClCc1nc2cnccc2n1-c1cccc2ncccc12
InChIInChI=1S/C16H11ClN4/c17-9-16-20-13-10-18-8-6-15(13)21(16)14-5-1-4-12-11(14)3-2-7-19-12/h1-8,10H,9H2
InChIKeyUKLGSPDOEGEKMP-UHFFFAOYSA-N
XLogP3.71
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]quinoline?
The IUPAC name of 5-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]quinoline (CID 79273482) is 5-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]quinoline.
What is the SMILES notation for 5-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]quinoline?
The canonical SMILES for 5-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]quinoline is ClCc1nc2cnccc2n1-c1cccc2ncccc12.
What is the InChIKey of 5-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]quinoline?
The InChIKey is UKLGSPDOEGEKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4/c17-9-16-20-13-10-18-8-6-15(13)21(16)14-5-1-4-12-11(14)3-2-7-19-12/h1-8,10H,9H2.
What are the key properties of 5-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]quinoline?
5-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]quinoline has a molecular weight of 294.75 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]quinoline is sourced from PubChem (CID 79273482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).