6-(4-methylimidazol-1-yl)-2-(4-methylthiophen-2-yl)quinoline;dihydrochloride

C18H17Cl2N3S — CID 67204700

IUPAC6-(4-methylimidazol-1-yl)-2-(4-methylthiophen-2-yl)quinoline;dihydrochloride
SMILESCc1csc(-c2ccc3cc(-n4cnc(C)c4)ccc3n2)c1.Cl.Cl
InChIInChI=1S/C18H15N3S.2ClH/c1-12-7-18(22-10-12)17-5-3-14-8-15(4-6-16(14)20-17)21-9-13(2)19-11-21;;/h3-11H,1-2H3;2*1H
InChIKeyZVUZAHXJLQSGIH-UHFFFAOYSA-N
MW378.33 g/mol
LogP5.61
Rot. Bonds2

About 6-(4-methylimidazol-1-yl)-2-(4-methylthiophen-2-yl)quinoline;dihydrochloride

6-(4-methylimidazol-1-yl)-2-(4-methylthiophen-2-yl)quinoline;dihydrochloride (PubChem CID 67204700) has the molecular formula C18H17Cl2N3S and a molecular weight of 378.33 g/mol. Its IUPAC name is 6-(4-methylimidazol-1-yl)-2-(4-methylthiophen-2-yl)quinoline;dihydrochloride.

Molecular Properties

Compound Name6-(4-methylimidazol-1-yl)-2-(4-methylthiophen-2-yl)quinoline;dihydrochloride
PubChem CID67204700
Molecular FormulaC18H17Cl2N3S
Molecular Weight378.33 g/mol
Exact Mass377.05
IUPAC Name6-(4-methylimidazol-1-yl)-2-(4-methylthiophen-2-yl)quinoline;dihydrochloride
SMILESCc1csc(-c2ccc3cc(-n4cnc(C)c4)ccc3n2)c1.Cl.Cl
InChIInChI=1S/C18H15N3S.2ClH/c1-12-7-18(22-10-12)17-5-3-14-8-15(4-6-16(14)20-17)21-9-13(2)19-11-21;;/h3-11H,1-2H3;2*1H
InChIKeyZVUZAHXJLQSGIH-UHFFFAOYSA-N
XLogP5.61
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.33
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylimidazol-1-yl)-2-(4-methylthiophen-2-yl)quinoline;dihydrochloride?
The IUPAC name of 6-(4-methylimidazol-1-yl)-2-(4-methylthiophen-2-yl)quinoline;dihydrochloride (CID 67204700) is 6-(4-methylimidazol-1-yl)-2-(4-methylthiophen-2-yl)quinoline;dihydrochloride.
What is the SMILES notation for 6-(4-methylimidazol-1-yl)-2-(4-methylthiophen-2-yl)quinoline;dihydrochloride?
The canonical SMILES for 6-(4-methylimidazol-1-yl)-2-(4-methylthiophen-2-yl)quinoline;dihydrochloride is Cc1csc(-c2ccc3cc(-n4cnc(C)c4)ccc3n2)c1.Cl.Cl.
What is the InChIKey of 6-(4-methylimidazol-1-yl)-2-(4-methylthiophen-2-yl)quinoline;dihydrochloride?
The InChIKey is ZVUZAHXJLQSGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3S.2ClH/c1-12-7-18(22-10-12)17-5-3-14-8-15(4-6-16(14)20-17)21-9-13(2)19-11-21;;/h3-11H,1-2H3;2*1H.
What are the key properties of 6-(4-methylimidazol-1-yl)-2-(4-methylthiophen-2-yl)quinoline;dihydrochloride?
6-(4-methylimidazol-1-yl)-2-(4-methylthiophen-2-yl)quinoline;dihydrochloride has a molecular weight of 378.33 g/mol, XLogP of 5.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylimidazol-1-yl)-2-(4-methylthiophen-2-yl)quinoline;dihydrochloride is sourced from PubChem (CID 67204700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).