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

C18H15N3S — CID 66781144

IUPAC6-(4-methylimidazol-1-yl)-2-(4-methylthiophen-2-yl)quinoline
SMILESCc1csc(-c2ccc3cc(-n4cnc(C)c4)ccc3n2)c1
InChIInChI=1S/C18H15N3S/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
InChIKeyOVEPDPDFOQVQED-UHFFFAOYSA-N
MW305.41 g/mol
LogP4.77
Rot. Bonds2

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

6-(4-methylimidazol-1-yl)-2-(4-methylthiophen-2-yl)quinoline (PubChem CID 66781144) has the molecular formula C18H15N3S and a molecular weight of 305.41 g/mol. Its IUPAC name is 6-(4-methylimidazol-1-yl)-2-(4-methylthiophen-2-yl)quinoline.

Molecular Properties

Compound Name6-(4-methylimidazol-1-yl)-2-(4-methylthiophen-2-yl)quinoline
PubChem CID66781144
Molecular FormulaC18H15N3S
Molecular Weight305.41 g/mol
Exact Mass305.10
IUPAC Name6-(4-methylimidazol-1-yl)-2-(4-methylthiophen-2-yl)quinoline
SMILESCc1csc(-c2ccc3cc(-n4cnc(C)c4)ccc3n2)c1
InChIInChI=1S/C18H15N3S/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
InChIKeyOVEPDPDFOQVQED-UHFFFAOYSA-N
XLogP4.77
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 54.77
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?
The IUPAC name of 6-(4-methylimidazol-1-yl)-2-(4-methylthiophen-2-yl)quinoline (CID 66781144) is 6-(4-methylimidazol-1-yl)-2-(4-methylthiophen-2-yl)quinoline.
What is the SMILES notation for 6-(4-methylimidazol-1-yl)-2-(4-methylthiophen-2-yl)quinoline?
The canonical SMILES for 6-(4-methylimidazol-1-yl)-2-(4-methylthiophen-2-yl)quinoline is Cc1csc(-c2ccc3cc(-n4cnc(C)c4)ccc3n2)c1.
What is the InChIKey of 6-(4-methylimidazol-1-yl)-2-(4-methylthiophen-2-yl)quinoline?
The InChIKey is OVEPDPDFOQVQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3S/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.
What are the key properties of 6-(4-methylimidazol-1-yl)-2-(4-methylthiophen-2-yl)quinoline?
6-(4-methylimidazol-1-yl)-2-(4-methylthiophen-2-yl)quinoline has a molecular weight of 305.41 g/mol, XLogP of 4.77, 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 is sourced from PubChem (CID 66781144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).