2-chloro-4,6-dimethyl-6-(1-methyl-6-oxopyridazin-3-yl)-7,8-dihydroquinolin-5-one

C16H16ClN3O2 — CID 122704008

IUPAC2-chloro-4,6-dimethyl-6-(1-methyl-6-oxopyridazin-3-yl)-7,8-dihydroquinolin-5-one
SMILESCc1cc(Cl)nc2c1C(=O)C(C)(c1ccc(=O)n(C)n1)CC2
InChIInChI=1S/C16H16ClN3O2/c1-9-8-12(17)18-10-6-7-16(2,15(22)14(9)10)11-4-5-13(21)20(3)19-11/h4-5,8H,6-7H2,1-3H3
InChIKeyDAUYOWMBDXTQII-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.22
Rot. Bonds1

About 2-chloro-4,6-dimethyl-6-(1-methyl-6-oxopyridazin-3-yl)-7,8-dihydroquinolin-5-one

2-chloro-4,6-dimethyl-6-(1-methyl-6-oxopyridazin-3-yl)-7,8-dihydroquinolin-5-one (PubChem CID 122704008) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is 2-chloro-4,6-dimethyl-6-(1-methyl-6-oxopyridazin-3-yl)-7,8-dihydroquinolin-5-one.

Molecular Properties

Compound Name2-chloro-4,6-dimethyl-6-(1-methyl-6-oxopyridazin-3-yl)-7,8-dihydroquinolin-5-one
PubChem CID122704008
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC Name2-chloro-4,6-dimethyl-6-(1-methyl-6-oxopyridazin-3-yl)-7,8-dihydroquinolin-5-one
SMILESCc1cc(Cl)nc2c1C(=O)C(C)(c1ccc(=O)n(C)n1)CC2
InChIInChI=1S/C16H16ClN3O2/c1-9-8-12(17)18-10-6-7-16(2,15(22)14(9)10)11-4-5-13(21)20(3)19-11/h4-5,8H,6-7H2,1-3H3
InChIKeyDAUYOWMBDXTQII-UHFFFAOYSA-N
XLogP2.22
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-chloro-4,6-dimethyl-6-(1-methyl-6-oxopyridazin-3-yl)-7,8-dihydroquinolin-5-one?
The IUPAC name of 2-chloro-4,6-dimethyl-6-(1-methyl-6-oxopyridazin-3-yl)-7,8-dihydroquinolin-5-one (CID 122704008) is 2-chloro-4,6-dimethyl-6-(1-methyl-6-oxopyridazin-3-yl)-7,8-dihydroquinolin-5-one.
What is the SMILES notation for 2-chloro-4,6-dimethyl-6-(1-methyl-6-oxopyridazin-3-yl)-7,8-dihydroquinolin-5-one?
The canonical SMILES for 2-chloro-4,6-dimethyl-6-(1-methyl-6-oxopyridazin-3-yl)-7,8-dihydroquinolin-5-one is Cc1cc(Cl)nc2c1C(=O)C(C)(c1ccc(=O)n(C)n1)CC2.
What is the InChIKey of 2-chloro-4,6-dimethyl-6-(1-methyl-6-oxopyridazin-3-yl)-7,8-dihydroquinolin-5-one?
The InChIKey is DAUYOWMBDXTQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c1-9-8-12(17)18-10-6-7-16(2,15(22)14(9)10)11-4-5-13(21)20(3)19-11/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 2-chloro-4,6-dimethyl-6-(1-methyl-6-oxopyridazin-3-yl)-7,8-dihydroquinolin-5-one?
2-chloro-4,6-dimethyl-6-(1-methyl-6-oxopyridazin-3-yl)-7,8-dihydroquinolin-5-one has a molecular weight of 317.78 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-dimethyl-6-(1-methyl-6-oxopyridazin-3-yl)-7,8-dihydroquinolin-5-one is sourced from PubChem (CID 122704008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).