(4,4-difluoropiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone

C23H29F2N3O2 — CID 11625873

IUPAC(4,4-difluoropiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone
SMILESCC(C)N1CCC(Oc2ccc3nc(C(=O)N4CCC(F)(F)CC4)ccc3c2)CC1
InChIInChI=1S/C23H29F2N3O2/c1-16(2)27-11-7-18(8-12-27)30-19-4-6-20-17(15-19)3-5-21(26-20)22(29)28-13-9-23(24,25)10-14-28/h3-6,15-16,18H,7-14H2,1-2H3
InChIKeyCRGOGOYBQHOYJG-UHFFFAOYSA-N
MW417.50 g/mol
LogP4.36
Rot. Bonds4

About (4,4-difluoropiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone

(4,4-difluoropiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone (PubChem CID 11625873) has the molecular formula C23H29F2N3O2 and a molecular weight of 417.50 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone
PubChem CID11625873
Molecular FormulaC23H29F2N3O2
Molecular Weight417.50 g/mol
Exact Mass417.22
IUPAC Name(4,4-difluoropiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone
SMILESCC(C)N1CCC(Oc2ccc3nc(C(=O)N4CCC(F)(F)CC4)ccc3c2)CC1
InChIInChI=1S/C23H29F2N3O2/c1-16(2)27-11-7-18(8-12-27)30-19-4-6-20-17(15-19)3-5-21(26-20)22(29)28-13-9-23(24,25)10-14-28/h3-6,15-16,18H,7-14H2,1-2H3
InChIKeyCRGOGOYBQHOYJG-UHFFFAOYSA-N
XLogP4.36
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.50
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone (CID 11625873) is (4,4-difluoropiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone is CC(C)N1CCC(Oc2ccc3nc(C(=O)N4CCC(F)(F)CC4)ccc3c2)CC1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone?
The InChIKey is CRGOGOYBQHOYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F2N3O2/c1-16(2)27-11-7-18(8-12-27)30-19-4-6-20-17(15-19)3-5-21(26-20)22(29)28-13-9-23(24,25)10-14-28/h3-6,15-16,18H,7-14H2,1-2H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone has a molecular weight of 417.50 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone is sourced from PubChem (CID 11625873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).