2-(furan-3-yl)-6-(2-methylimidazol-1-yl)quinoline;dihydrochloride

C17H15Cl2N3O — CID 67205835

IUPAC2-(furan-3-yl)-6-(2-methylimidazol-1-yl)quinoline;dihydrochloride
SMILESCc1nccn1-c1ccc2nc(-c3ccoc3)ccc2c1.Cl.Cl
InChIInChI=1S/C17H13N3O.2ClH/c1-12-18-7-8-20(12)15-3-5-16-13(10-15)2-4-17(19-16)14-6-9-21-11-14;;/h2-11H,1H3;2*1H
InChIKeyOTGDNPBSCDTPOV-UHFFFAOYSA-N
MW348.23 g/mol
LogP4.83
Rot. Bonds2

About 2-(furan-3-yl)-6-(2-methylimidazol-1-yl)quinoline;dihydrochloride

2-(furan-3-yl)-6-(2-methylimidazol-1-yl)quinoline;dihydrochloride (PubChem CID 67205835) has the molecular formula C17H15Cl2N3O and a molecular weight of 348.23 g/mol. Its IUPAC name is 2-(furan-3-yl)-6-(2-methylimidazol-1-yl)quinoline;dihydrochloride.

Molecular Properties

Compound Name2-(furan-3-yl)-6-(2-methylimidazol-1-yl)quinoline;dihydrochloride
PubChem CID67205835
Molecular FormulaC17H15Cl2N3O
Molecular Weight348.23 g/mol
Exact Mass347.06
IUPAC Name2-(furan-3-yl)-6-(2-methylimidazol-1-yl)quinoline;dihydrochloride
SMILESCc1nccn1-c1ccc2nc(-c3ccoc3)ccc2c1.Cl.Cl
InChIInChI=1S/C17H13N3O.2ClH/c1-12-18-7-8-20(12)15-3-5-16-13(10-15)2-4-17(19-16)14-6-9-21-11-14;;/h2-11H,1H3;2*1H
InChIKeyOTGDNPBSCDTPOV-UHFFFAOYSA-N
XLogP4.83
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-6-(2-methylimidazol-1-yl)quinoline;dihydrochloride?
The IUPAC name of 2-(furan-3-yl)-6-(2-methylimidazol-1-yl)quinoline;dihydrochloride (CID 67205835) is 2-(furan-3-yl)-6-(2-methylimidazol-1-yl)quinoline;dihydrochloride.
What is the SMILES notation for 2-(furan-3-yl)-6-(2-methylimidazol-1-yl)quinoline;dihydrochloride?
The canonical SMILES for 2-(furan-3-yl)-6-(2-methylimidazol-1-yl)quinoline;dihydrochloride is Cc1nccn1-c1ccc2nc(-c3ccoc3)ccc2c1.Cl.Cl.
What is the InChIKey of 2-(furan-3-yl)-6-(2-methylimidazol-1-yl)quinoline;dihydrochloride?
The InChIKey is OTGDNPBSCDTPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O.2ClH/c1-12-18-7-8-20(12)15-3-5-16-13(10-15)2-4-17(19-16)14-6-9-21-11-14;;/h2-11H,1H3;2*1H.
What are the key properties of 2-(furan-3-yl)-6-(2-methylimidazol-1-yl)quinoline;dihydrochloride?
2-(furan-3-yl)-6-(2-methylimidazol-1-yl)quinoline;dihydrochloride has a molecular weight of 348.23 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-6-(2-methylimidazol-1-yl)quinoline;dihydrochloride is sourced from PubChem (CID 67205835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).