3-cyclohexyl-2-thiophen-2-ylimidazo[4,5-g]quinoline

C20H19N3S — CID 127035539

IUPAC3-cyclohexyl-2-thiophen-2-ylimidazo[4,5-g]quinoline
SMILESc1csc(-c2nc3cc4cccnc4cc3n2C2CCCCC2)c1
InChIInChI=1S/C20H19N3S/c1-2-7-15(8-3-1)23-18-13-16-14(6-4-10-21-16)12-17(18)22-20(23)19-9-5-11-24-19/h4-6,9-13,15H,1-3,7-8H2
InChIKeyUAFUWDXNOLBIJM-UHFFFAOYSA-N
MW333.46 g/mol
LogP5.82
Rot. Bonds2

About 3-cyclohexyl-2-thiophen-2-ylimidazo[4,5-g]quinoline

3-cyclohexyl-2-thiophen-2-ylimidazo[4,5-g]quinoline (PubChem CID 127035539) has the molecular formula C20H19N3S and a molecular weight of 333.46 g/mol. Its IUPAC name is 3-cyclohexyl-2-thiophen-2-ylimidazo[4,5-g]quinoline.

Molecular Properties

Compound Name3-cyclohexyl-2-thiophen-2-ylimidazo[4,5-g]quinoline
PubChem CID127035539
Molecular FormulaC20H19N3S
Molecular Weight333.46 g/mol
Exact Mass333.13
IUPAC Name3-cyclohexyl-2-thiophen-2-ylimidazo[4,5-g]quinoline
SMILESc1csc(-c2nc3cc4cccnc4cc3n2C2CCCCC2)c1
InChIInChI=1S/C20H19N3S/c1-2-7-15(8-3-1)23-18-13-16-14(6-4-10-21-16)12-17(18)22-20(23)19-9-5-11-24-19/h4-6,9-13,15H,1-3,7-8H2
InChIKeyUAFUWDXNOLBIJM-UHFFFAOYSA-N
XLogP5.82
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.46
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-thiophen-2-ylimidazo[4,5-g]quinoline?
The IUPAC name of 3-cyclohexyl-2-thiophen-2-ylimidazo[4,5-g]quinoline (CID 127035539) is 3-cyclohexyl-2-thiophen-2-ylimidazo[4,5-g]quinoline.
What is the SMILES notation for 3-cyclohexyl-2-thiophen-2-ylimidazo[4,5-g]quinoline?
The canonical SMILES for 3-cyclohexyl-2-thiophen-2-ylimidazo[4,5-g]quinoline is c1csc(-c2nc3cc4cccnc4cc3n2C2CCCCC2)c1.
What is the InChIKey of 3-cyclohexyl-2-thiophen-2-ylimidazo[4,5-g]quinoline?
The InChIKey is UAFUWDXNOLBIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3S/c1-2-7-15(8-3-1)23-18-13-16-14(6-4-10-21-16)12-17(18)22-20(23)19-9-5-11-24-19/h4-6,9-13,15H,1-3,7-8H2.
What are the key properties of 3-cyclohexyl-2-thiophen-2-ylimidazo[4,5-g]quinoline?
3-cyclohexyl-2-thiophen-2-ylimidazo[4,5-g]quinoline has a molecular weight of 333.46 g/mol, XLogP of 5.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-thiophen-2-ylimidazo[4,5-g]quinoline is sourced from PubChem (CID 127035539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).