3,4-dihydro-2H-quinolin-1-yl-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone

C22H18FN3OS — CID 2097036

IUPAC3,4-dihydro-2H-quinolin-1-yl-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
SMILESCc1nn(-c2ccc(F)cc2)c2sc(C(=O)N3CCCc4ccccc43)cc12
InChIInChI=1S/C22H18FN3OS/c1-14-18-13-20(21(27)25-12-4-6-15-5-2-3-7-19(15)25)28-22(18)26(24-14)17-10-8-16(23)9-11-17/h2-3,5,7-11,13H,4,6,12H2,1H3
InChIKeySPVJTOJUDJGDDD-UHFFFAOYSA-N
MW391.47 g/mol
LogP5.13
Rot. Bonds2

About 3,4-dihydro-2H-quinolin-1-yl-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone

3,4-dihydro-2H-quinolin-1-yl-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone (PubChem CID 2097036) has the molecular formula C22H18FN3OS and a molecular weight of 391.47 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
PubChem CID2097036
Molecular FormulaC22H18FN3OS
Molecular Weight391.47 g/mol
Exact Mass391.12
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
SMILESCc1nn(-c2ccc(F)cc2)c2sc(C(=O)N3CCCc4ccccc43)cc12
InChIInChI=1S/C22H18FN3OS/c1-14-18-13-20(21(27)25-12-4-6-15-5-2-3-7-19(15)25)28-22(18)26(24-14)17-10-8-16(23)9-11-17/h2-3,5,7-11,13H,4,6,12H2,1H3
InChIKeySPVJTOJUDJGDDD-UHFFFAOYSA-N
XLogP5.13
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
CID 18277666
[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119400049
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 29479052
azepan-1-yl-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 939101
[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 2018052
[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119648559
[2-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
CID 119434439
(3R)-4-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]-3-methyl-1,4-diazepan-2-one
CID 124620013
6-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione
CID 44616069
N-(3-fluorophenyl)-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 53008862
[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone;hydrochloride
CID 119516664
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 8893058

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone (CID 2097036) is 3,4-dihydro-2H-quinolin-1-yl-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone is Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N3CCCc4ccccc43)cc12.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone?
The InChIKey is SPVJTOJUDJGDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3OS/c1-14-18-13-20(21(27)25-12-4-6-15-5-2-3-7-19(15)25)28-22(18)26(24-14)17-10-8-16(23)9-11-17/h2-3,5,7-11,13H,4,6,12H2,1H3.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone?
3,4-dihydro-2H-quinolin-1-yl-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone has a molecular weight of 391.47 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone is sourced from PubChem (CID 2097036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).