5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(4-methylphenyl)-1H-pyrazol-3-one

C20H19N3O2 — CID 71926692

IUPAC5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(4-methylphenyl)-1H-pyrazol-3-one
SMILESCc1ccc(-n2[nH]c(C(=O)N3CCCc4ccccc43)cc2=O)cc1
InChIInChI=1S/C20H19N3O2/c1-14-8-10-16(11-9-14)23-19(24)13-17(21-23)20(25)22-12-4-6-15-5-2-3-7-18(15)22/h2-3,5,7-11,13,21H,4,6,12H2,1H3
InChIKeyWKDVFQFQKLXIJZ-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.07
Rot. Bonds2

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

5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(4-methylphenyl)-1H-pyrazol-3-one (PubChem CID 71926692) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(4-methylphenyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(4-methylphenyl)-1H-pyrazol-3-one
PubChem CID71926692
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(4-methylphenyl)-1H-pyrazol-3-one
SMILESCc1ccc(-n2[nH]c(C(=O)N3CCCc4ccccc43)cc2=O)cc1
InChIInChI=1S/C20H19N3O2/c1-14-8-10-16(11-9-14)23-19(24)13-17(21-23)20(25)22-12-4-6-15-5-2-3-7-18(15)22/h2-3,5,7-11,13,21H,4,6,12H2,1H3
InChIKeyWKDVFQFQKLXIJZ-UHFFFAOYSA-N
XLogP3.07
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methoxy-2-(4-methylphenyl)pyridazin-3-one
CID 8555810
2-(3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridin-4-one
CID 110857132
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-2H-isoquinolin-1-one
CID 78802141
5-[(2R,3R)-2,3-dimethylthiomorpholine-4-carbonyl]-2-(4-methylphenyl)-1H-pyrazol-3-one
CID 95967740
3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone
CID 776290
(5-methyl-1H-pyrazol-3-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 86768825
(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 806851
2,6-dimethyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)benzonitrile
CID 21083240
2,3-dihydroindol-1-yl-(6-methyl-1H-indol-2-yl)methanone
CID 113207338
6-(3,4-dihydro-2H-quinoline-1-carbonyl)-2,2-dimethyl-4-[(4-methylphenyl)methyl]-1,4-benzoxazin-3-one
CID 1450899

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(4-methylphenyl)-1H-pyrazol-3-one?
The IUPAC name of 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(4-methylphenyl)-1H-pyrazol-3-one (CID 71926692) is 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(4-methylphenyl)-1H-pyrazol-3-one.
What is the SMILES notation for 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(4-methylphenyl)-1H-pyrazol-3-one?
The canonical SMILES for 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(4-methylphenyl)-1H-pyrazol-3-one is Cc1ccc(-n2[nH]c(C(=O)N3CCCc4ccccc43)cc2=O)cc1.
What is the InChIKey of 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(4-methylphenyl)-1H-pyrazol-3-one?
The InChIKey is WKDVFQFQKLXIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-14-8-10-16(11-9-14)23-19(24)13-17(21-23)20(25)22-12-4-6-15-5-2-3-7-18(15)22/h2-3,5,7-11,13,21H,4,6,12H2,1H3.
What are the key properties of 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(4-methylphenyl)-1H-pyrazol-3-one?
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(4-methylphenyl)-1H-pyrazol-3-one has a molecular weight of 333.39 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(4-methylphenyl)-1H-pyrazol-3-one is sourced from PubChem (CID 71926692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).