2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone

C23H25N3O2 — CID 55632726

IUPAC2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCOc1cccc2c1N(C(=O)Cc1c(C)nn(-c3ccccc3)c1C)CCC2
InChIInChI=1S/C23H25N3O2/c1-16-20(17(2)26(24-16)19-11-5-4-6-12-19)15-22(27)25-14-8-10-18-9-7-13-21(28-3)23(18)25/h4-7,9,11-13H,8,10,14-15H2,1-3H3
InChIKeyJHPIOZMGLYOVKY-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.02
Rot. Bonds4

About 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 55632726) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID55632726
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCOc1cccc2c1N(C(=O)Cc1c(C)nn(-c3ccccc3)c1C)CCC2
InChIInChI=1S/C23H25N3O2/c1-16-20(17(2)26(24-16)19-11-5-4-6-12-19)15-22(27)25-14-8-10-18-9-7-13-21(28-3)23(18)25/h4-7,9,11-13H,8,10,14-15H2,1-3H3
InChIKeyJHPIOZMGLYOVKY-UHFFFAOYSA-N
XLogP4.02
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone with MolForge

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Related Compounds

(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 43066680
2-bromo-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 63681436
2-(1-aminocyclopentyl)-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 64677547
1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 115950342
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(4-methoxypiperidin-1-yl)ethanone
CID 56810569
3-(ethylamino)-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 62834203
1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-2,3-dihydroindole-6-sulfonamide
CID 86973582
(2R)-1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119370730
(1-aminocyclopropyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 65466415
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 7913722
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
CID 55438375
[2-(azepan-1-yl)-2-oxoethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
CID 8628662

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 55632726) is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone is COc1cccc2c1N(C(=O)Cc1c(C)nn(-c3ccccc3)c1C)CCC2.
What is the InChIKey of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is JHPIOZMGLYOVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16-20(17(2)26(24-16)19-11-5-4-6-12-19)15-22(27)25-14-8-10-18-9-7-13-21(28-3)23(18)25/h4-7,9,11-13H,8,10,14-15H2,1-3H3.
What are the key properties of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone?
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 375.47 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 55632726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).