(2-chloroquinolin-4-yl)-(2,6-dimethylpiperidin-1-yl)methanone

C17H19ClN2O — CID 43319697

IUPAC(2-chloroquinolin-4-yl)-(2,6-dimethylpiperidin-1-yl)methanone
SMILESCC1CCCC(C)N1C(=O)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C17H19ClN2O/c1-11-6-5-7-12(2)20(11)17(21)14-10-16(18)19-15-9-4-3-8-13(14)15/h3-4,8-12H,5-7H2,1-2H3
InChIKeyOFBPOETUYXFSSD-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.29
Rot. Bonds1

About (2-chloroquinolin-4-yl)-(2,6-dimethylpiperidin-1-yl)methanone

(2-chloroquinolin-4-yl)-(2,6-dimethylpiperidin-1-yl)methanone (PubChem CID 43319697) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is (2-chloroquinolin-4-yl)-(2,6-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloroquinolin-4-yl)-(2,6-dimethylpiperidin-1-yl)methanone
PubChem CID43319697
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name(2-chloroquinolin-4-yl)-(2,6-dimethylpiperidin-1-yl)methanone
SMILESCC1CCCC(C)N1C(=O)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C17H19ClN2O/c1-11-6-5-7-12(2)20(11)17(21)14-10-16(18)19-15-9-4-3-8-13(14)15/h3-4,8-12H,5-7H2,1-2H3
InChIKeyOFBPOETUYXFSSD-UHFFFAOYSA-N
XLogP4.29
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-chloroquinolin-4-yl)-(2,6-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (2-chloroquinolin-4-yl)-(2,6-dimethylpiperidin-1-yl)methanone (CID 43319697) is (2-chloroquinolin-4-yl)-(2,6-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-chloroquinolin-4-yl)-(2,6-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (2-chloroquinolin-4-yl)-(2,6-dimethylpiperidin-1-yl)methanone is CC1CCCC(C)N1C(=O)c1cc(Cl)nc2ccccc12.
What is the InChIKey of (2-chloroquinolin-4-yl)-(2,6-dimethylpiperidin-1-yl)methanone?
The InChIKey is OFBPOETUYXFSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-11-6-5-7-12(2)20(11)17(21)14-10-16(18)19-15-9-4-3-8-13(14)15/h3-4,8-12H,5-7H2,1-2H3.
What are the key properties of (2-chloroquinolin-4-yl)-(2,6-dimethylpiperidin-1-yl)methanone?
(2-chloroquinolin-4-yl)-(2,6-dimethylpiperidin-1-yl)methanone has a molecular weight of 302.81 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloroquinolin-4-yl)-(2,6-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 43319697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).