[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C22H22FN3O — CID 8893058

IUPAC[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1ccc2c(c1)CCCN2C(=O)c1c(C)nn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C22H22FN3O/c1-14-6-11-20-17(13-14)5-4-12-25(20)22(27)21-15(2)24-26(16(21)3)19-9-7-18(23)8-10-19/h6-11,13H,4-5,12H2,1-3H3
InChIKeyFGKCXBKPFXIXCO-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.53
Rot. Bonds2

About [1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 8893058) has the molecular formula C22H22FN3O and a molecular weight of 363.44 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID8893058
Molecular FormulaC22H22FN3O
Molecular Weight363.44 g/mol
Exact Mass363.17
IUPAC Name[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1ccc2c(c1)CCCN2C(=O)c1c(C)nn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C22H22FN3O/c1-14-6-11-20-17(13-14)5-4-12-25(20)22(27)21-15(2)24-26(16(21)3)19-9-7-18(23)8-10-19/h6-11,13H,4-5,12H2,1-3H3
InChIKeyFGKCXBKPFXIXCO-UHFFFAOYSA-N
XLogP4.53
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 55597702
(2-amino-4-fluorophenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63109770
[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 121031494
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-piperazin-1-ylmethanone
CID 119402164
[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 8892631
3,4-dihydro-2H-quinolin-1-yl-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
CID 2097036
4-fluoro-N-[4-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzenesulfonamide
CID 37332333
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
CID 55490174
2-(4-fluorophenoxy)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 112762093
[3-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methanone
CID 119595022
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 111694964
[1-(4-fluorobenzoyl)piperidin-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 78776232

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 8893058) is [1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is Cc1ccc2c(c1)CCCN2C(=O)c1c(C)nn(-c2ccc(F)cc2)c1C.
What is the InChIKey of [1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is FGKCXBKPFXIXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O/c1-14-6-11-20-17(13-14)5-4-12-25(20)22(27)21-15(2)24-26(16(21)3)19-9-7-18(23)8-10-19/h6-11,13H,4-5,12H2,1-3H3.
What are the key properties of [1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 363.44 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 8893058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).