(2-chloroquinolin-4-yl)-piperidin-1-ylmethanone

C15H15ClN2O — CID 902610

IUPAC(2-chloroquinolin-4-yl)-piperidin-1-ylmethanone
SMILESO=C(c1cc(Cl)nc2ccccc12)N1CCCCC1
InChIInChI=1S/C15H15ClN2O/c16-14-10-12(11-6-2-3-7-13(11)17-14)15(19)18-8-4-1-5-9-18/h2-3,6-7,10H,1,4-5,8-9H2
InChIKeyPNJYBGNZULMUEH-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.51
Rot. Bonds1

About (2-chloroquinolin-4-yl)-piperidin-1-ylmethanone

(2-chloroquinolin-4-yl)-piperidin-1-ylmethanone (PubChem CID 902610) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is (2-chloroquinolin-4-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(2-chloroquinolin-4-yl)-piperidin-1-ylmethanone
PubChem CID902610
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name(2-chloroquinolin-4-yl)-piperidin-1-ylmethanone
SMILESO=C(c1cc(Cl)nc2ccccc12)N1CCCCC1
InChIInChI=1S/C15H15ClN2O/c16-14-10-12(11-6-2-3-7-13(11)17-14)15(19)18-8-4-1-5-9-18/h2-3,6-7,10H,1,4-5,8-9H2
InChIKeyPNJYBGNZULMUEH-UHFFFAOYSA-N
XLogP3.51
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.51
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)-piperidin-1-ylmethanone?
The IUPAC name of (2-chloroquinolin-4-yl)-piperidin-1-ylmethanone (CID 902610) is (2-chloroquinolin-4-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (2-chloroquinolin-4-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (2-chloroquinolin-4-yl)-piperidin-1-ylmethanone is O=C(c1cc(Cl)nc2ccccc12)N1CCCCC1.
What is the InChIKey of (2-chloroquinolin-4-yl)-piperidin-1-ylmethanone?
The InChIKey is PNJYBGNZULMUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c16-14-10-12(11-6-2-3-7-13(11)17-14)15(19)18-8-4-1-5-9-18/h2-3,6-7,10H,1,4-5,8-9H2.
What are the key properties of (2-chloroquinolin-4-yl)-piperidin-1-ylmethanone?
(2-chloroquinolin-4-yl)-piperidin-1-ylmethanone has a molecular weight of 274.75 g/mol, XLogP of 3.51, 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)-piperidin-1-ylmethanone is sourced from PubChem (CID 902610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).