2-chloro-6-methyl-6-(6-methylpyridazin-3-yl)-7,8-dihydroquinolin-5-one

C15H14ClN3O — CID 135225799

IUPAC2-chloro-6-methyl-6-(6-methylpyridazin-3-yl)-7,8-dihydroquinolin-5-one
SMILESCc1ccc(C2(C)CCc3nc(Cl)ccc3C2=O)nn1
InChIInChI=1S/C15H14ClN3O/c1-9-3-5-12(19-18-9)15(2)8-7-11-10(14(15)20)4-6-13(16)17-11/h3-6H,7-8H2,1-2H3
InChIKeyXHWKSQDAHVOVBB-UHFFFAOYSA-N
MW287.75 g/mol
LogP2.92
Rot. Bonds1

About 2-chloro-6-methyl-6-(6-methylpyridazin-3-yl)-7,8-dihydroquinolin-5-one

2-chloro-6-methyl-6-(6-methylpyridazin-3-yl)-7,8-dihydroquinolin-5-one (PubChem CID 135225799) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 2-chloro-6-methyl-6-(6-methylpyridazin-3-yl)-7,8-dihydroquinolin-5-one.

Molecular Properties

Compound Name2-chloro-6-methyl-6-(6-methylpyridazin-3-yl)-7,8-dihydroquinolin-5-one
PubChem CID135225799
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name2-chloro-6-methyl-6-(6-methylpyridazin-3-yl)-7,8-dihydroquinolin-5-one
SMILESCc1ccc(C2(C)CCc3nc(Cl)ccc3C2=O)nn1
InChIInChI=1S/C15H14ClN3O/c1-9-3-5-12(19-18-9)15(2)8-7-11-10(14(15)20)4-6-13(16)17-11/h3-6H,7-8H2,1-2H3
InChIKeyXHWKSQDAHVOVBB-UHFFFAOYSA-N
XLogP2.92
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-6-methyl-6-(6-methylpyridazin-3-yl)-7,8-dihydroquinolin-5-one?
The IUPAC name of 2-chloro-6-methyl-6-(6-methylpyridazin-3-yl)-7,8-dihydroquinolin-5-one (CID 135225799) is 2-chloro-6-methyl-6-(6-methylpyridazin-3-yl)-7,8-dihydroquinolin-5-one.
What is the SMILES notation for 2-chloro-6-methyl-6-(6-methylpyridazin-3-yl)-7,8-dihydroquinolin-5-one?
The canonical SMILES for 2-chloro-6-methyl-6-(6-methylpyridazin-3-yl)-7,8-dihydroquinolin-5-one is Cc1ccc(C2(C)CCc3nc(Cl)ccc3C2=O)nn1.
What is the InChIKey of 2-chloro-6-methyl-6-(6-methylpyridazin-3-yl)-7,8-dihydroquinolin-5-one?
The InChIKey is XHWKSQDAHVOVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c1-9-3-5-12(19-18-9)15(2)8-7-11-10(14(15)20)4-6-13(16)17-11/h3-6H,7-8H2,1-2H3.
What are the key properties of 2-chloro-6-methyl-6-(6-methylpyridazin-3-yl)-7,8-dihydroquinolin-5-one?
2-chloro-6-methyl-6-(6-methylpyridazin-3-yl)-7,8-dihydroquinolin-5-one has a molecular weight of 287.75 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-6-(6-methylpyridazin-3-yl)-7,8-dihydroquinolin-5-one is sourced from PubChem (CID 135225799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).