4-butan-2-yloxy-6-(4,4-difluoropiperidin-1-yl)quinoline

C18H22F2N2O — CID 170009860

IUPAC4-butan-2-yloxy-6-(4,4-difluoropiperidin-1-yl)quinoline
SMILESCCC(C)Oc1ccnc2ccc(N3CCC(F)(F)CC3)cc12
InChIInChI=1S/C18H22F2N2O/c1-3-13(2)23-17-6-9-21-16-5-4-14(12-15(16)17)22-10-7-18(19,20)8-11-22/h4-6,9,12-13H,3,7-8,10-11H2,1-2H3
InChIKeyGIKPGZQQYPZMHD-UHFFFAOYSA-N
MW320.38 g/mol
LogP4.65
Rot. Bonds4

About 4-butan-2-yloxy-6-(4,4-difluoropiperidin-1-yl)quinoline

4-butan-2-yloxy-6-(4,4-difluoropiperidin-1-yl)quinoline (PubChem CID 170009860) has the molecular formula C18H22F2N2O and a molecular weight of 320.38 g/mol. Its IUPAC name is 4-butan-2-yloxy-6-(4,4-difluoropiperidin-1-yl)quinoline.

Molecular Properties

Compound Name4-butan-2-yloxy-6-(4,4-difluoropiperidin-1-yl)quinoline
PubChem CID170009860
Molecular FormulaC18H22F2N2O
Molecular Weight320.38 g/mol
Exact Mass320.17
IUPAC Name4-butan-2-yloxy-6-(4,4-difluoropiperidin-1-yl)quinoline
SMILESCCC(C)Oc1ccnc2ccc(N3CCC(F)(F)CC3)cc12
InChIInChI=1S/C18H22F2N2O/c1-3-13(2)23-17-6-9-21-16-5-4-14(12-15(16)17)22-10-7-18(19,20)8-11-22/h4-6,9,12-13H,3,7-8,10-11H2,1-2H3
InChIKeyGIKPGZQQYPZMHD-UHFFFAOYSA-N
XLogP4.65
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxy-6-(4,4-difluoropiperidin-1-yl)quinoline?
The IUPAC name of 4-butan-2-yloxy-6-(4,4-difluoropiperidin-1-yl)quinoline (CID 170009860) is 4-butan-2-yloxy-6-(4,4-difluoropiperidin-1-yl)quinoline.
What is the SMILES notation for 4-butan-2-yloxy-6-(4,4-difluoropiperidin-1-yl)quinoline?
The canonical SMILES for 4-butan-2-yloxy-6-(4,4-difluoropiperidin-1-yl)quinoline is CCC(C)Oc1ccnc2ccc(N3CCC(F)(F)CC3)cc12.
What is the InChIKey of 4-butan-2-yloxy-6-(4,4-difluoropiperidin-1-yl)quinoline?
The InChIKey is GIKPGZQQYPZMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2O/c1-3-13(2)23-17-6-9-21-16-5-4-14(12-15(16)17)22-10-7-18(19,20)8-11-22/h4-6,9,12-13H,3,7-8,10-11H2,1-2H3.
What are the key properties of 4-butan-2-yloxy-6-(4,4-difluoropiperidin-1-yl)quinoline?
4-butan-2-yloxy-6-(4,4-difluoropiperidin-1-yl)quinoline has a molecular weight of 320.38 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxy-6-(4,4-difluoropiperidin-1-yl)quinoline is sourced from PubChem (CID 170009860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).