3-(3,5-dimethylpyrazolidin-4-yl)-N-quinolin-5-ylpropanamide

C17H22N4O — CID 134067274

IUPAC3-(3,5-dimethylpyrazolidin-4-yl)-N-quinolin-5-ylpropanamide
SMILESCC1NNC(C)C1CCC(=O)Nc1cccc2ncccc12
InChIInChI=1S/C17H22N4O/c1-11-13(12(2)21-20-11)8-9-17(22)19-16-7-3-6-15-14(16)5-4-10-18-15/h3-7,10-13,20-21H,8-9H2,1-2H3,(H,19,22)
InChIKeyHMRXIWMZZCWBQR-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.45
Rot. Bonds4

About 3-(3,5-dimethylpyrazolidin-4-yl)-N-quinolin-5-ylpropanamide

3-(3,5-dimethylpyrazolidin-4-yl)-N-quinolin-5-ylpropanamide (PubChem CID 134067274) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazolidin-4-yl)-N-quinolin-5-ylpropanamide.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazolidin-4-yl)-N-quinolin-5-ylpropanamide
PubChem CID134067274
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name3-(3,5-dimethylpyrazolidin-4-yl)-N-quinolin-5-ylpropanamide
SMILESCC1NNC(C)C1CCC(=O)Nc1cccc2ncccc12
InChIInChI=1S/C17H22N4O/c1-11-13(12(2)21-20-11)8-9-17(22)19-16-7-3-6-15-14(16)5-4-10-18-15/h3-7,10-13,20-21H,8-9H2,1-2H3,(H,19,22)
InChIKeyHMRXIWMZZCWBQR-UHFFFAOYSA-N
XLogP2.45
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-N-quinolin-5-ylbutanamide
CID 24654624
2-chloro-N-quinolin-5-ylacetamide;hydrochloride
CID 155943918
4-(4-ethoxyphenoxy)-N-quinolin-5-ylbutanamide
CID 5124937
N-quinolin-5-yl-3-(1,2,4-triazol-1-yl)propanamide
CID 24653404
2-(4-hydroxyphenyl)-N-quinolin-5-ylacetamide
CID 78838145
methyl N-quinolin-5-ylcarbamate
CID 110734012
2,2-dimethyl-N-[2-oxo-2-(quinolin-5-ylamino)ethyl]propanamide
CID 86977886
2-(4-acetylpiperazin-1-yl)-N-quinolin-5-ylacetamide
CID 17428284
3-(3-fluorophenyl)-N-quinolin-5-ylpropanamide
CID 34382272
3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-quinolin-5-ylpropanamide
CID 99870849
3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-quinolin-5-ylpropanamide
CID 75531778
3-hydroxy-3-phenyl-N-quinolin-5-ylbutanamide
CID 110024307

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazolidin-4-yl)-N-quinolin-5-ylpropanamide?
The IUPAC name of 3-(3,5-dimethylpyrazolidin-4-yl)-N-quinolin-5-ylpropanamide (CID 134067274) is 3-(3,5-dimethylpyrazolidin-4-yl)-N-quinolin-5-ylpropanamide.
What is the SMILES notation for 3-(3,5-dimethylpyrazolidin-4-yl)-N-quinolin-5-ylpropanamide?
The canonical SMILES for 3-(3,5-dimethylpyrazolidin-4-yl)-N-quinolin-5-ylpropanamide is CC1NNC(C)C1CCC(=O)Nc1cccc2ncccc12.
What is the InChIKey of 3-(3,5-dimethylpyrazolidin-4-yl)-N-quinolin-5-ylpropanamide?
The InChIKey is HMRXIWMZZCWBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-11-13(12(2)21-20-11)8-9-17(22)19-16-7-3-6-15-14(16)5-4-10-18-15/h3-7,10-13,20-21H,8-9H2,1-2H3,(H,19,22).
What are the key properties of 3-(3,5-dimethylpyrazolidin-4-yl)-N-quinolin-5-ylpropanamide?
3-(3,5-dimethylpyrazolidin-4-yl)-N-quinolin-5-ylpropanamide has a molecular weight of 298.39 g/mol, XLogP of 2.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazolidin-4-yl)-N-quinolin-5-ylpropanamide is sourced from PubChem (CID 134067274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).