6-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methoxy-2-(4-methylphenyl)pyridazin-3-one

C22H21N3O3 — CID 8555810

IUPAC6-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methoxy-2-(4-methylphenyl)pyridazin-3-one
SMILESCOc1cc(=O)n(-c2ccc(C)cc2)nc1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C22H21N3O3/c1-15-9-11-17(12-10-15)25-20(26)14-19(28-2)21(23-25)22(27)24-13-5-7-16-6-3-4-8-18(16)24/h3-4,6,8-12,14H,5,7,13H2,1-2H3
InChIKeyGQCHRGQMJFEWTB-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.14
Rot. Bonds3

About 6-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methoxy-2-(4-methylphenyl)pyridazin-3-one

6-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methoxy-2-(4-methylphenyl)pyridazin-3-one (PubChem CID 8555810) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 6-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methoxy-2-(4-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methoxy-2-(4-methylphenyl)pyridazin-3-one
PubChem CID8555810
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name6-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methoxy-2-(4-methylphenyl)pyridazin-3-one
SMILESCOc1cc(=O)n(-c2ccc(C)cc2)nc1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C22H21N3O3/c1-15-9-11-17(12-10-15)25-20(26)14-19(28-2)21(23-25)22(27)24-13-5-7-16-6-3-4-8-18(16)24/h3-4,6,8-12,14H,5,7,13H2,1-2H3
InChIKeyGQCHRGQMJFEWTB-UHFFFAOYSA-N
XLogP3.14
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(2-methoxyphenyl)phthalazin-1-one
CID 3711758
3,4-dihydro-2H-quinolin-1-yl-(2-methoxyphenyl)methanone
CID 903128
3,4-dihydro-2H-quinolin-1-yl-(2,6-dimethoxyphenyl)methanone
CID 5061013
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(4-methylphenyl)-1H-pyrazol-3-one
CID 71926692
6-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-5-methoxy-2-(4-methylphenyl)pyridazin-3-one
CID 8555727
3,4-dihydro-2H-quinolin-1-yl-(3-methoxy-4-methylphenyl)methanone
CID 51229053
1-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-(4-methoxyphenyl)-5-methylpyridazino[4,5-b]indol-4-one
CID 20855993
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 55597702
ethyl (3R)-1-[4-methoxy-1-(4-methylphenyl)-6-oxopyridazine-3-carbonyl]piperidine-3-carboxylate
CID 8555696
6-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one
CID 8553180
N-(4-fluorophenyl)-4-methoxy-1-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8555849
N-(3-acetylphenyl)-4-methoxy-1-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8555936

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methoxy-2-(4-methylphenyl)pyridazin-3-one?
The IUPAC name of 6-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methoxy-2-(4-methylphenyl)pyridazin-3-one (CID 8555810) is 6-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methoxy-2-(4-methylphenyl)pyridazin-3-one.
What is the SMILES notation for 6-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methoxy-2-(4-methylphenyl)pyridazin-3-one?
The canonical SMILES for 6-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methoxy-2-(4-methylphenyl)pyridazin-3-one is COc1cc(=O)n(-c2ccc(C)cc2)nc1C(=O)N1CCCc2ccccc21.
What is the InChIKey of 6-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methoxy-2-(4-methylphenyl)pyridazin-3-one?
The InChIKey is GQCHRGQMJFEWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-15-9-11-17(12-10-15)25-20(26)14-19(28-2)21(23-25)22(27)24-13-5-7-16-6-3-4-8-18(16)24/h3-4,6,8-12,14H,5,7,13H2,1-2H3.
What are the key properties of 6-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methoxy-2-(4-methylphenyl)pyridazin-3-one?
6-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methoxy-2-(4-methylphenyl)pyridazin-3-one has a molecular weight of 375.43 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methoxy-2-(4-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 8555810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).