2-pyridin-2-ylquinoline-4-carbonyl chloride

C15H9ClN2O — CID 46779554

IUPAC2-pyridin-2-ylquinoline-4-carbonyl chloride
SMILESO=C(Cl)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C15H9ClN2O/c16-15(19)11-9-14(13-7-3-4-8-17-13)18-12-6-2-1-5-10(11)12/h1-9H
InChIKeyIZGLDEHASPLXFF-UHFFFAOYSA-N
MW268.70 g/mol
LogP3.68
Rot. Bonds2

About 2-pyridin-2-ylquinoline-4-carbonyl chloride

2-pyridin-2-ylquinoline-4-carbonyl chloride (PubChem CID 46779554) has the molecular formula C15H9ClN2O and a molecular weight of 268.70 g/mol. Its IUPAC name is 2-pyridin-2-ylquinoline-4-carbonyl chloride.

Molecular Properties

Compound Name2-pyridin-2-ylquinoline-4-carbonyl chloride
PubChem CID46779554
Molecular FormulaC15H9ClN2O
Molecular Weight268.70 g/mol
Exact Mass268.04
IUPAC Name2-pyridin-2-ylquinoline-4-carbonyl chloride
SMILESO=C(Cl)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C15H9ClN2O/c16-15(19)11-9-14(13-7-3-4-8-17-13)18-12-6-2-1-5-10(11)12/h1-9H
InChIKeyIZGLDEHASPLXFF-UHFFFAOYSA-N
XLogP3.68
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylquinoline-4-carbonyl chloride?
The IUPAC name of 2-pyridin-2-ylquinoline-4-carbonyl chloride (CID 46779554) is 2-pyridin-2-ylquinoline-4-carbonyl chloride.
What is the SMILES notation for 2-pyridin-2-ylquinoline-4-carbonyl chloride?
The canonical SMILES for 2-pyridin-2-ylquinoline-4-carbonyl chloride is O=C(Cl)c1cc(-c2ccccn2)nc2ccccc12.
What is the InChIKey of 2-pyridin-2-ylquinoline-4-carbonyl chloride?
The InChIKey is IZGLDEHASPLXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2O/c16-15(19)11-9-14(13-7-3-4-8-17-13)18-12-6-2-1-5-10(11)12/h1-9H.
What are the key properties of 2-pyridin-2-ylquinoline-4-carbonyl chloride?
2-pyridin-2-ylquinoline-4-carbonyl chloride has a molecular weight of 268.70 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylquinoline-4-carbonyl chloride is sourced from PubChem (CID 46779554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).