4-(4-propan-2-ylcyclohexyl)oxyquinoline

C18H23NO — CID 155416383

IUPAC4-(4-propan-2-ylcyclohexyl)oxyquinoline
SMILESCC(C)C1CCC(Oc2ccnc3ccccc23)CC1
InChIInChI=1S/C18H23NO/c1-13(2)14-7-9-15(10-8-14)20-18-11-12-19-17-6-4-3-5-16(17)18/h3-6,11-15H,7-10H2,1-2H3
InChIKeyYLNULNZWKKHOAZ-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.83
Rot. Bonds3

About 4-(4-propan-2-ylcyclohexyl)oxyquinoline

4-(4-propan-2-ylcyclohexyl)oxyquinoline (PubChem CID 155416383) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-(4-propan-2-ylcyclohexyl)oxyquinoline.

Molecular Properties

Compound Name4-(4-propan-2-ylcyclohexyl)oxyquinoline
PubChem CID155416383
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name4-(4-propan-2-ylcyclohexyl)oxyquinoline
SMILESCC(C)C1CCC(Oc2ccnc3ccccc23)CC1
InChIInChI=1S/C18H23NO/c1-13(2)14-7-9-15(10-8-14)20-18-11-12-19-17-6-4-3-5-16(17)18/h3-6,11-15H,7-10H2,1-2H3
InChIKeyYLNULNZWKKHOAZ-UHFFFAOYSA-N
XLogP4.83
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(4-propan-2-ylcyclohexyl)oxyquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-ylcyclohexyl)oxyquinoline?
The IUPAC name of 4-(4-propan-2-ylcyclohexyl)oxyquinoline (CID 155416383) is 4-(4-propan-2-ylcyclohexyl)oxyquinoline.
What is the SMILES notation for 4-(4-propan-2-ylcyclohexyl)oxyquinoline?
The canonical SMILES for 4-(4-propan-2-ylcyclohexyl)oxyquinoline is CC(C)C1CCC(Oc2ccnc3ccccc23)CC1.
What is the InChIKey of 4-(4-propan-2-ylcyclohexyl)oxyquinoline?
The InChIKey is YLNULNZWKKHOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13(2)14-7-9-15(10-8-14)20-18-11-12-19-17-6-4-3-5-16(17)18/h3-6,11-15H,7-10H2,1-2H3.
What are the key properties of 4-(4-propan-2-ylcyclohexyl)oxyquinoline?
4-(4-propan-2-ylcyclohexyl)oxyquinoline has a molecular weight of 269.39 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylcyclohexyl)oxyquinoline is sourced from PubChem (CID 155416383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).