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

C16H16ClN3O — CID 122704017

IUPAC2-chloro-6-(6-ethylpyridazin-3-yl)-6-methyl-7,8-dihydroquinolin-5-one
SMILESCCc1ccc(C2(C)CCc3nc(Cl)ccc3C2=O)nn1
InChIInChI=1S/C16H16ClN3O/c1-3-10-4-6-13(20-19-10)16(2)9-8-12-11(15(16)21)5-7-14(17)18-12/h4-7H,3,8-9H2,1-2H3
InChIKeyMWNYKOWUHGRIFE-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.17
Rot. Bonds2

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

2-chloro-6-(6-ethylpyridazin-3-yl)-6-methyl-7,8-dihydroquinolin-5-one (PubChem CID 122704017) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 2-chloro-6-(6-ethylpyridazin-3-yl)-6-methyl-7,8-dihydroquinolin-5-one.

Molecular Properties

Compound Name2-chloro-6-(6-ethylpyridazin-3-yl)-6-methyl-7,8-dihydroquinolin-5-one
PubChem CID122704017
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name2-chloro-6-(6-ethylpyridazin-3-yl)-6-methyl-7,8-dihydroquinolin-5-one
SMILESCCc1ccc(C2(C)CCc3nc(Cl)ccc3C2=O)nn1
InChIInChI=1S/C16H16ClN3O/c1-3-10-4-6-13(20-19-10)16(2)9-8-12-11(15(16)21)5-7-14(17)18-12/h4-7H,3,8-9H2,1-2H3
InChIKeyMWNYKOWUHGRIFE-UHFFFAOYSA-N
XLogP3.17
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.17
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-(6-ethylpyridazin-3-yl)-6-methyl-7,8-dihydroquinolin-5-one?
The IUPAC name of 2-chloro-6-(6-ethylpyridazin-3-yl)-6-methyl-7,8-dihydroquinolin-5-one (CID 122704017) is 2-chloro-6-(6-ethylpyridazin-3-yl)-6-methyl-7,8-dihydroquinolin-5-one.
What is the SMILES notation for 2-chloro-6-(6-ethylpyridazin-3-yl)-6-methyl-7,8-dihydroquinolin-5-one?
The canonical SMILES for 2-chloro-6-(6-ethylpyridazin-3-yl)-6-methyl-7,8-dihydroquinolin-5-one is CCc1ccc(C2(C)CCc3nc(Cl)ccc3C2=O)nn1.
What is the InChIKey of 2-chloro-6-(6-ethylpyridazin-3-yl)-6-methyl-7,8-dihydroquinolin-5-one?
The InChIKey is MWNYKOWUHGRIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-3-10-4-6-13(20-19-10)16(2)9-8-12-11(15(16)21)5-7-14(17)18-12/h4-7H,3,8-9H2,1-2H3.
What are the key properties of 2-chloro-6-(6-ethylpyridazin-3-yl)-6-methyl-7,8-dihydroquinolin-5-one?
2-chloro-6-(6-ethylpyridazin-3-yl)-6-methyl-7,8-dihydroquinolin-5-one has a molecular weight of 301.78 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(6-ethylpyridazin-3-yl)-6-methyl-7,8-dihydroquinolin-5-one is sourced from PubChem (CID 122704017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).