1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-fluorophenyl)pyrazol-1-yl]ethanone

C20H18FN3O — CID 71801680

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-fluorophenyl)pyrazol-1-yl]ethanone
SMILESO=C(Cn1cc(-c2ccc(F)cc2)cn1)N1CCCc2ccccc21
InChIInChI=1S/C20H18FN3O/c21-18-9-7-15(8-10-18)17-12-22-23(13-17)14-20(25)24-11-3-5-16-4-1-2-6-19(16)24/h1-2,4,6-10,12-13H,3,5,11,14H2
InChIKeyAVKOGPJTCDUVBL-UHFFFAOYSA-N
MW335.38 g/mol
LogP3.67
Rot. Bonds3

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-fluorophenyl)pyrazol-1-yl]ethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-fluorophenyl)pyrazol-1-yl]ethanone (PubChem CID 71801680) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-fluorophenyl)pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-fluorophenyl)pyrazol-1-yl]ethanone
PubChem CID71801680
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-fluorophenyl)pyrazol-1-yl]ethanone
SMILESO=C(Cn1cc(-c2ccc(F)cc2)cn1)N1CCCc2ccccc21
InChIInChI=1S/C20H18FN3O/c21-18-9-7-15(8-10-18)17-12-22-23(13-17)14-20(25)24-11-3-5-16-4-1-2-6-19(16)24/h1-2,4,6-10,12-13H,3,5,11,14H2
InChIKeyAVKOGPJTCDUVBL-UHFFFAOYSA-N
XLogP3.67
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-fluorophenyl)-3-oxopropanamide
CID 108953370
5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 29279136
2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 8719141
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfonyl-N-(4-fluorophenyl)acetamide
CID 39076337
N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide
CID 112532196
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(1-hydroxyethyl)triazol-1-yl]ethanone
CID 80736020
N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]triazol-4-yl]acetamide
CID 112532191
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]ethanone
CID 20906228
3,4-dihydro-2H-quinolin-1-yl-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 6622781
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 858988
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone
CID 2433301
N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175650634

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-fluorophenyl)pyrazol-1-yl]ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-fluorophenyl)pyrazol-1-yl]ethanone (CID 71801680) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-fluorophenyl)pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-fluorophenyl)pyrazol-1-yl]ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-fluorophenyl)pyrazol-1-yl]ethanone is O=C(Cn1cc(-c2ccc(F)cc2)cn1)N1CCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-fluorophenyl)pyrazol-1-yl]ethanone?
The InChIKey is AVKOGPJTCDUVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c21-18-9-7-15(8-10-18)17-12-22-23(13-17)14-20(25)24-11-3-5-16-4-1-2-6-19(16)24/h1-2,4,6-10,12-13H,3,5,11,14H2.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-fluorophenyl)pyrazol-1-yl]ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-fluorophenyl)pyrazol-1-yl]ethanone has a molecular weight of 335.38 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-fluorophenyl)pyrazol-1-yl]ethanone is sourced from PubChem (CID 71801680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).