(2,6-dichloroquinolin-4-yl)-pyridin-2-ylmethanone

C15H8Cl2N2O — CID 125473502

IUPAC(2,6-dichloroquinolin-4-yl)-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)c1cc(Cl)nc2ccc(Cl)cc12
InChIInChI=1S/C15H8Cl2N2O/c16-9-4-5-12-10(7-9)11(8-14(17)19-12)15(20)13-3-1-2-6-18-13/h1-8H
InChIKeyVYXZGZTUMXBYAE-UHFFFAOYSA-N
MW303.15 g/mol
LogP4.17
Rot. Bonds2

About (2,6-dichloroquinolin-4-yl)-pyridin-2-ylmethanone

(2,6-dichloroquinolin-4-yl)-pyridin-2-ylmethanone (PubChem CID 125473502) has the molecular formula C15H8Cl2N2O and a molecular weight of 303.15 g/mol. Its IUPAC name is (2,6-dichloroquinolin-4-yl)-pyridin-2-ylmethanone.

Molecular Properties

Compound Name(2,6-dichloroquinolin-4-yl)-pyridin-2-ylmethanone
PubChem CID125473502
Molecular FormulaC15H8Cl2N2O
Molecular Weight303.15 g/mol
Exact Mass302.00
IUPAC Name(2,6-dichloroquinolin-4-yl)-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)c1cc(Cl)nc2ccc(Cl)cc12
InChIInChI=1S/C15H8Cl2N2O/c16-9-4-5-12-10(7-9)11(8-14(17)19-12)15(20)13-3-1-2-6-18-13/h1-8H
InChIKeyVYXZGZTUMXBYAE-UHFFFAOYSA-N
XLogP4.17
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dichlorophenyl)-pyridin-2-ylmethanone
CID 16638529
[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanone
CID 125474347
N-(6-chloroquinolin-4-yl)pyridine-2-carboxamide
CID 17016566
(3,5-dichlorophenyl)-pyridin-2-ylmethanone
CID 24723586
6-chloro-2-pyridin-4-ylquinoline-4-carboxylic acid
CID 3789667
CID 173156131
CID 173156131
3,4-dichloro-N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]benzenesulfinamide
CID 143609958
methyl 2-chloroquinoline-4-carboxylate
CID 5202936
isoquinolin-4-yl(pyridin-2-yl)methanone
CID 63940731
6-chloro-N-(3,4-dimethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 2220682
N-[(E)-(2,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide
CID 139068920
copper;bis(phenyl(pyridin-2-yl)methanone);diisothiocyanate
CID 139144534

Frequently Asked Questions

What is the IUPAC name of (2,6-dichloroquinolin-4-yl)-pyridin-2-ylmethanone?
The IUPAC name of (2,6-dichloroquinolin-4-yl)-pyridin-2-ylmethanone (CID 125473502) is (2,6-dichloroquinolin-4-yl)-pyridin-2-ylmethanone.
What is the SMILES notation for (2,6-dichloroquinolin-4-yl)-pyridin-2-ylmethanone?
The canonical SMILES for (2,6-dichloroquinolin-4-yl)-pyridin-2-ylmethanone is O=C(c1ccccn1)c1cc(Cl)nc2ccc(Cl)cc12.
What is the InChIKey of (2,6-dichloroquinolin-4-yl)-pyridin-2-ylmethanone?
The InChIKey is VYXZGZTUMXBYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2N2O/c16-9-4-5-12-10(7-9)11(8-14(17)19-12)15(20)13-3-1-2-6-18-13/h1-8H.
What are the key properties of (2,6-dichloroquinolin-4-yl)-pyridin-2-ylmethanone?
(2,6-dichloroquinolin-4-yl)-pyridin-2-ylmethanone has a molecular weight of 303.15 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichloroquinolin-4-yl)-pyridin-2-ylmethanone is sourced from PubChem (CID 125473502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).