2-[4-cyclopropyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone

C22H24N4O — CID 170511024

IUPAC2-[4-cyclopropyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone
SMILESCn1nccc1-c1cc(C2CC2)c2cc(CC(=O)N3CCCC3)ccc2n1
InChIInChI=1S/C22H24N4O/c1-25-21(8-9-23-25)20-14-17(16-5-6-16)18-12-15(4-7-19(18)24-20)13-22(27)26-10-2-3-11-26/h4,7-9,12,14,16H,2-3,5-6,10-11,13H2,1H3
InChIKeyCPVOEIHLDZRVMC-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.68
Rot. Bonds4

About 2-[4-cyclopropyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone

2-[4-cyclopropyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 170511024) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[4-cyclopropyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-cyclopropyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone
PubChem CID170511024
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-[4-cyclopropyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone
SMILESCn1nccc1-c1cc(C2CC2)c2cc(CC(=O)N3CCCC3)ccc2n1
InChIInChI=1S/C22H24N4O/c1-25-21(8-9-23-25)20-14-17(16-5-6-16)18-12-15(4-7-19(18)24-20)13-22(27)26-10-2-3-11-26/h4,7-9,12,14,16H,2-3,5-6,10-11,13H2,1H3
InChIKeyCPVOEIHLDZRVMC-UHFFFAOYSA-N
XLogP3.68
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-methyl-2-(1-methylpyrazol-4-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone
CID 169412361
1-[(3S)-3-[4-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 124956672
2-(1-methylbenzimidazol-5-yl)-1-pyrrolidin-1-ylethanone
CID 110772869
2-[4-methyl-2-(1,2-thiazol-4-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone
CID 169411675
2-(2-methyl-3H-benzimidazol-5-yl)-1-pyrrolidin-1-ylethanone
CID 110772537
2-[4-cyclopropyl-2-(3,4-dimethoxyphenyl)quinolin-6-yl]acetamide
CID 170510978
1-[4-[4-methyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]piperazin-1-yl]ethanone
CID 169417416
1-[(3R)-3-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 124998664
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(1-methylbenzimidazol-5-yl)ethanone
CID 110801719
2-[4-cyclopropyl-2-(3-propan-2-yloxyphenyl)quinolin-6-yl]acetamide
CID 170506236
2-[4-methyl-2-(3-methylphenyl)quinolin-6-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 170511551
2-(3,4-difluorophenyl)-1-pyrrolidin-1-ylethanone
CID 71683361

Frequently Asked Questions

What is the IUPAC name of 2-[4-cyclopropyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[4-cyclopropyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone (CID 170511024) is 2-[4-cyclopropyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[4-cyclopropyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[4-cyclopropyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone is Cn1nccc1-c1cc(C2CC2)c2cc(CC(=O)N3CCCC3)ccc2n1.
What is the InChIKey of 2-[4-cyclopropyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is CPVOEIHLDZRVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-25-21(8-9-23-25)20-14-17(16-5-6-16)18-12-15(4-7-19(18)24-20)13-22(27)26-10-2-3-11-26/h4,7-9,12,14,16H,2-3,5-6,10-11,13H2,1H3.
What are the key properties of 2-[4-cyclopropyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone?
2-[4-cyclopropyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 360.46 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyclopropyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 170511024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).