(2-chloroquinolin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C19H17ClN4O — CID 27255683

IUPAC(2-chloroquinolin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cc(Cl)nc2ccccc12)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H17ClN4O/c20-17-13-15(14-5-1-2-6-16(14)22-17)19(25)24-11-9-23(10-12-24)18-7-3-4-8-21-18/h1-8,13H,9-12H2
InChIKeyISGQSPMZBFEXBA-UHFFFAOYSA-N
MW352.83 g/mol
LogP3.25
Rot. Bonds2

About (2-chloroquinolin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(2-chloroquinolin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 27255683) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is (2-chloroquinolin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloroquinolin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID27255683
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC Name(2-chloroquinolin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cc(Cl)nc2ccccc12)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H17ClN4O/c20-17-13-15(14-5-1-2-6-16(14)22-17)19(25)24-11-9-23(10-12-24)18-7-3-4-8-21-18/h1-8,13H,9-12H2
InChIKeyISGQSPMZBFEXBA-UHFFFAOYSA-N
XLogP3.25
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2-chloroquinolin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-chloroquinolin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (2-chloroquinolin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 27255683) is (2-chloroquinolin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-chloroquinolin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2-chloroquinolin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1cc(Cl)nc2ccccc12)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (2-chloroquinolin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is ISGQSPMZBFEXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c20-17-13-15(14-5-1-2-6-16(14)22-17)19(25)24-11-9-23(10-12-24)18-7-3-4-8-21-18/h1-8,13H,9-12H2.
What are the key properties of (2-chloroquinolin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(2-chloroquinolin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 352.83 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloroquinolin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 27255683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).