[4-[4-(6-chloroquinolin-7-yl)-2-fluorophenoxy]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone

C25H24ClFN2O3 — CID 155010930

IUPAC[4-[4-(6-chloroquinolin-7-yl)-2-fluorophenoxy]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
SMILESO=C([C@H]1CCCO1)N1CCC(Oc2ccc(-c3cc4ncccc4cc3Cl)cc2F)CC1
InChIInChI=1S/C25H24ClFN2O3/c26-20-13-17-3-1-9-28-22(17)15-19(20)16-5-6-23(21(27)14-16)32-18-7-10-29(11-8-18)25(30)24-4-2-12-31-24/h1,3,5-6,9,13-15,18,24H,2,4,7-8,10-12H2/t24-/m1/s1
InChIKeyZSOSDUSSDQOHBQ-XMMPIXPASA-N
MW454.93 g/mol
LogP5.24
Rot. Bonds4

About [4-[4-(6-chloroquinolin-7-yl)-2-fluorophenoxy]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone

[4-[4-(6-chloroquinolin-7-yl)-2-fluorophenoxy]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone (PubChem CID 155010930) has the molecular formula C25H24ClFN2O3 and a molecular weight of 454.93 g/mol. Its IUPAC name is [4-[4-(6-chloroquinolin-7-yl)-2-fluorophenoxy]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[4-[4-(6-chloroquinolin-7-yl)-2-fluorophenoxy]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
PubChem CID155010930
Molecular FormulaC25H24ClFN2O3
Molecular Weight454.93 g/mol
Exact Mass454.15
IUPAC Name[4-[4-(6-chloroquinolin-7-yl)-2-fluorophenoxy]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
SMILESO=C([C@H]1CCCO1)N1CCC(Oc2ccc(-c3cc4ncccc4cc3Cl)cc2F)CC1
InChIInChI=1S/C25H24ClFN2O3/c26-20-13-17-3-1-9-28-22(17)15-19(20)16-5-6-23(21(27)14-16)32-18-7-10-29(11-8-18)25(30)24-4-2-12-31-24/h1,3,5-6,9,13-15,18,24H,2,4,7-8,10-12H2/t24-/m1/s1
InChIKeyZSOSDUSSDQOHBQ-XMMPIXPASA-N
XLogP5.24
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.93
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(6-chloroquinolin-7-yl)-2-fluorophenoxy]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The IUPAC name of [4-[4-(6-chloroquinolin-7-yl)-2-fluorophenoxy]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone (CID 155010930) is [4-[4-(6-chloroquinolin-7-yl)-2-fluorophenoxy]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone.
What is the SMILES notation for [4-[4-(6-chloroquinolin-7-yl)-2-fluorophenoxy]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The canonical SMILES for [4-[4-(6-chloroquinolin-7-yl)-2-fluorophenoxy]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone is O=C([C@H]1CCCO1)N1CCC(Oc2ccc(-c3cc4ncccc4cc3Cl)cc2F)CC1.
What is the InChIKey of [4-[4-(6-chloroquinolin-7-yl)-2-fluorophenoxy]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The InChIKey is ZSOSDUSSDQOHBQ-XMMPIXPASA-N. The full InChI is InChI=1S/C25H24ClFN2O3/c26-20-13-17-3-1-9-28-22(17)15-19(20)16-5-6-23(21(27)14-16)32-18-7-10-29(11-8-18)25(30)24-4-2-12-31-24/h1,3,5-6,9,13-15,18,24H,2,4,7-8,10-12H2/t24-/m1/s1.
What are the key properties of [4-[4-(6-chloroquinolin-7-yl)-2-fluorophenoxy]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone?
[4-[4-(6-chloroquinolin-7-yl)-2-fluorophenoxy]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone has a molecular weight of 454.93 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(6-chloroquinolin-7-yl)-2-fluorophenoxy]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone is sourced from PubChem (CID 155010930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).