[1-(3-chlorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C24H19ClFN3OS — CID 42761883

IUPAC[1-(3-chlorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC1CCc2cc(F)ccc2N1C(=O)c1cc(-c2cccs2)nn1-c1cccc(Cl)c1
InChIInChI=1S/C24H19ClFN3OS/c1-15-7-8-16-12-18(26)9-10-21(16)28(15)24(30)22-14-20(23-6-3-11-31-23)27-29(22)19-5-2-4-17(25)13-19/h2-6,9-15H,7-8H2,1H3
InChIKeyKRSVZUDYEMAEJB-UHFFFAOYSA-N
MW451.95 g/mol
LogP6.37
Rot. Bonds3

About [1-(3-chlorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

[1-(3-chlorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 42761883) has the molecular formula C24H19ClFN3OS and a molecular weight of 451.95 g/mol. Its IUPAC name is [1-(3-chlorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[1-(3-chlorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID42761883
Molecular FormulaC24H19ClFN3OS
Molecular Weight451.95 g/mol
Exact Mass451.09
IUPAC Name[1-(3-chlorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC1CCc2cc(F)ccc2N1C(=O)c1cc(-c2cccs2)nn1-c1cccc(Cl)c1
InChIInChI=1S/C24H19ClFN3OS/c1-15-7-8-16-12-18(26)9-10-21(16)28(15)24(30)22-14-20(23-6-3-11-31-23)27-29(22)19-5-2-4-17(25)13-19/h2-6,9-15H,7-8H2,1H3
InChIKeyKRSVZUDYEMAEJB-UHFFFAOYSA-N
XLogP6.37
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.95
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[1-(3-chlorophenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]piperazin-1-yl]ethanone
CID 4285307
[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone
CID 845075
[1-(3-chlorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-piperidin-1-ylmethanone
CID 42662964
[1-(3-chlorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3941269
6-(3-chlorophenyl)-12-[2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one
CID 16859833
(2,5-dichlorophenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 4181075
1-(3-chlorophenyl)-N,N-dipropyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42761882
[3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 4200957
[1-(3-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 3957746
(3,4-dichlorophenyl)-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 873798
[1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-pyrrolidin-1-ylmethanone
CID 812780
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(3-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone
CID 7494838

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [1-(3-chlorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 42761883) is [1-(3-chlorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [1-(3-chlorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [1-(3-chlorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is CC1CCc2cc(F)ccc2N1C(=O)c1cc(-c2cccs2)nn1-c1cccc(Cl)c1.
What is the InChIKey of [1-(3-chlorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is KRSVZUDYEMAEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN3OS/c1-15-7-8-16-12-18(26)9-10-21(16)28(15)24(30)22-14-20(23-6-3-11-31-23)27-29(22)19-5-2-4-17(25)13-19/h2-6,9-15H,7-8H2,1H3.
What are the key properties of [1-(3-chlorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
[1-(3-chlorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 451.95 g/mol, XLogP of 6.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 42761883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).