[4-(4-fluorophenoxy)piperidin-1-yl]-(6-methoxyquinolin-2-yl)methanone

C22H21FN2O3 — CID 67169053

IUPAC[4-(4-fluorophenoxy)piperidin-1-yl]-(6-methoxyquinolin-2-yl)methanone
SMILESCOc1ccc2nc(C(=O)N3CCC(Oc4ccc(F)cc4)CC3)ccc2c1
InChIInChI=1S/C22H21FN2O3/c1-27-19-7-9-20-15(14-19)2-8-21(24-20)22(26)25-12-10-18(11-13-25)28-17-5-3-16(23)4-6-17/h2-9,14,18H,10-13H2,1H3
InChIKeyXRIHUCRVCHDWAV-UHFFFAOYSA-N
MW380.42 g/mol
LogP4.07
Rot. Bonds4

About [4-(4-fluorophenoxy)piperidin-1-yl]-(6-methoxyquinolin-2-yl)methanone

[4-(4-fluorophenoxy)piperidin-1-yl]-(6-methoxyquinolin-2-yl)methanone (PubChem CID 67169053) has the molecular formula C22H21FN2O3 and a molecular weight of 380.42 g/mol. Its IUPAC name is [4-(4-fluorophenoxy)piperidin-1-yl]-(6-methoxyquinolin-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenoxy)piperidin-1-yl]-(6-methoxyquinolin-2-yl)methanone
PubChem CID67169053
Molecular FormulaC22H21FN2O3
Molecular Weight380.42 g/mol
Exact Mass380.15
IUPAC Name[4-(4-fluorophenoxy)piperidin-1-yl]-(6-methoxyquinolin-2-yl)methanone
SMILESCOc1ccc2nc(C(=O)N3CCC(Oc4ccc(F)cc4)CC3)ccc2c1
InChIInChI=1S/C22H21FN2O3/c1-27-19-7-9-20-15(14-19)2-8-21(24-20)22(26)25-12-10-18(11-13-25)28-17-5-3-16(23)4-6-17/h2-9,14,18H,10-13H2,1H3
InChIKeyXRIHUCRVCHDWAV-UHFFFAOYSA-N
XLogP4.07
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenoxy)piperidin-1-yl]-(6-methoxyquinolin-2-yl)methanone?
The IUPAC name of [4-(4-fluorophenoxy)piperidin-1-yl]-(6-methoxyquinolin-2-yl)methanone (CID 67169053) is [4-(4-fluorophenoxy)piperidin-1-yl]-(6-methoxyquinolin-2-yl)methanone.
What is the SMILES notation for [4-(4-fluorophenoxy)piperidin-1-yl]-(6-methoxyquinolin-2-yl)methanone?
The canonical SMILES for [4-(4-fluorophenoxy)piperidin-1-yl]-(6-methoxyquinolin-2-yl)methanone is COc1ccc2nc(C(=O)N3CCC(Oc4ccc(F)cc4)CC3)ccc2c1.
What is the InChIKey of [4-(4-fluorophenoxy)piperidin-1-yl]-(6-methoxyquinolin-2-yl)methanone?
The InChIKey is XRIHUCRVCHDWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3/c1-27-19-7-9-20-15(14-19)2-8-21(24-20)22(26)25-12-10-18(11-13-25)28-17-5-3-16(23)4-6-17/h2-9,14,18H,10-13H2,1H3.
What are the key properties of [4-(4-fluorophenoxy)piperidin-1-yl]-(6-methoxyquinolin-2-yl)methanone?
[4-(4-fluorophenoxy)piperidin-1-yl]-(6-methoxyquinolin-2-yl)methanone has a molecular weight of 380.42 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenoxy)piperidin-1-yl]-(6-methoxyquinolin-2-yl)methanone is sourced from PubChem (CID 67169053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).