2-quinolin-8-yl-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone

C21H24N4O — CID 95978384

IUPAC2-quinolin-8-yl-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
SMILESCc1nn(C)c(C)c1[C@H]1CCCN1C(=O)Cc1cccc2cccnc12
InChIInChI=1S/C21H24N4O/c1-14-20(15(2)24(3)23-14)18-10-6-12-25(18)19(26)13-17-8-4-7-16-9-5-11-22-21(16)17/h4-5,7-9,11,18H,6,10,12-13H2,1-3H3/t18-/m1/s1
InChIKeyZHWLTWIRYVYEGR-GOSISDBHSA-N
MW348.45 g/mol
LogP3.49
Rot. Bonds3

About 2-quinolin-8-yl-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone

2-quinolin-8-yl-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone (PubChem CID 95978384) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-quinolin-8-yl-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-quinolin-8-yl-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
PubChem CID95978384
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name2-quinolin-8-yl-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
SMILESCc1nn(C)c(C)c1[C@H]1CCCN1C(=O)Cc1cccc2cccnc12
InChIInChI=1S/C21H24N4O/c1-14-20(15(2)24(3)23-14)18-10-6-12-25(18)19(26)13-17-8-4-7-16-9-5-11-22-21(16)17/h4-5,7-9,11,18H,6,10,12-13H2,1-3H3/t18-/m1/s1
InChIKeyZHWLTWIRYVYEGR-GOSISDBHSA-N
XLogP3.49
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-quinolin-8-yl-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

3-(2,3-difluorophenyl)-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one
CID 95978508
2-(4-aminophenyl)-1-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 119881275
2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95735674
1-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-quinolin-8-ylethanone
CID 92626852
1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-quinolin-8-ylethanone
CID 92626853
2-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95978358
1-(2-benzylpyrrolidin-1-yl)-2-quinolin-8-ylethanone
CID 51338069
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 56779603
4-pyrazol-1-yl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]butan-1-one
CID 95978501
2-quinolin-8-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47017959
N-(6-methyl-2-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 75507962
2-(4-methylpyrazol-1-yl)-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95978464

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-8-yl-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-quinolin-8-yl-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone (CID 95978384) is 2-quinolin-8-yl-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-quinolin-8-yl-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-quinolin-8-yl-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone is Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)Cc1cccc2cccnc12.
What is the InChIKey of 2-quinolin-8-yl-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is ZHWLTWIRYVYEGR-GOSISDBHSA-N. The full InChI is InChI=1S/C21H24N4O/c1-14-20(15(2)24(3)23-14)18-10-6-12-25(18)19(26)13-17-8-4-7-16-9-5-11-22-21(16)17/h4-5,7-9,11,18H,6,10,12-13H2,1-3H3/t18-/m1/s1.
What are the key properties of 2-quinolin-8-yl-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
2-quinolin-8-yl-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 348.45 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-8-yl-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95978384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).