4-(4-cyclopropylcyclohexyl)-6-fluoroquinoline

C18H20FN — CID 154996564

IUPAC4-(4-cyclopropylcyclohexyl)-6-fluoroquinoline
SMILESFc1ccc2nccc(C3CCC(C4CC4)CC3)c2c1
InChIInChI=1S/C18H20FN/c19-15-7-8-18-17(11-15)16(9-10-20-18)14-5-3-13(4-6-14)12-1-2-12/h7-14H,1-6H2
InChIKeyLRLQSAUMZQTXRQ-UHFFFAOYSA-N
MW269.36 g/mol
LogP5.06
Rot. Bonds2

About 4-(4-cyclopropylcyclohexyl)-6-fluoroquinoline

4-(4-cyclopropylcyclohexyl)-6-fluoroquinoline (PubChem CID 154996564) has the molecular formula C18H20FN and a molecular weight of 269.36 g/mol. Its IUPAC name is 4-(4-cyclopropylcyclohexyl)-6-fluoroquinoline.

Molecular Properties

Compound Name4-(4-cyclopropylcyclohexyl)-6-fluoroquinoline
PubChem CID154996564
Molecular FormulaC18H20FN
Molecular Weight269.36 g/mol
Exact Mass269.16
IUPAC Name4-(4-cyclopropylcyclohexyl)-6-fluoroquinoline
SMILESFc1ccc2nccc(C3CCC(C4CC4)CC3)c2c1
InChIInChI=1S/C18H20FN/c19-15-7-8-18-17(11-15)16(9-10-20-18)14-5-3-13(4-6-14)12-1-2-12/h7-14H,1-6H2
InChIKeyLRLQSAUMZQTXRQ-UHFFFAOYSA-N
XLogP5.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.36
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropylcyclohexyl)-6-fluoroquinoline?
The IUPAC name of 4-(4-cyclopropylcyclohexyl)-6-fluoroquinoline (CID 154996564) is 4-(4-cyclopropylcyclohexyl)-6-fluoroquinoline.
What is the SMILES notation for 4-(4-cyclopropylcyclohexyl)-6-fluoroquinoline?
The canonical SMILES for 4-(4-cyclopropylcyclohexyl)-6-fluoroquinoline is Fc1ccc2nccc(C3CCC(C4CC4)CC3)c2c1.
What is the InChIKey of 4-(4-cyclopropylcyclohexyl)-6-fluoroquinoline?
The InChIKey is LRLQSAUMZQTXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN/c19-15-7-8-18-17(11-15)16(9-10-20-18)14-5-3-13(4-6-14)12-1-2-12/h7-14H,1-6H2.
What are the key properties of 4-(4-cyclopropylcyclohexyl)-6-fluoroquinoline?
4-(4-cyclopropylcyclohexyl)-6-fluoroquinoline has a molecular weight of 269.36 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropylcyclohexyl)-6-fluoroquinoline is sourced from PubChem (CID 154996564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).