N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide

C24H27N3O — CID 25347389

IUPACN-[(3S)-1-benzylpyrrolidin-3-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide
SMILESCc1nc2ccccc2c(C)c1CC(=O)N[C@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C24H27N3O/c1-17-21-10-6-7-11-23(21)25-18(2)22(17)14-24(28)26-20-12-13-27(16-20)15-19-8-4-3-5-9-19/h3-11,20H,12-16H2,1-2H3,(H,26,28)/t20-/m0/s1
InChIKeyJPEYBTUTQDQPGR-FQEVSTJZSA-N
MW373.50 g/mol
LogP3.78
Rot. Bonds5

About N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide

N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide (PubChem CID 25347389) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(3S)-1-benzylpyrrolidin-3-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide
PubChem CID25347389
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC NameN-[(3S)-1-benzylpyrrolidin-3-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide
SMILESCc1nc2ccccc2c(C)c1CC(=O)N[C@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C24H27N3O/c1-17-21-10-6-7-11-23(21)25-18(2)22(17)14-24(28)26-20-12-13-27(16-20)15-19-8-4-3-5-9-19/h3-11,20H,12-16H2,1-2H3,(H,26,28)/t20-/m0/s1
InChIKeyJPEYBTUTQDQPGR-FQEVSTJZSA-N
XLogP3.78
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylquinolin-3-yl)-N-(4-methylcyclohexyl)acetamide
CID 35006428
N-[2-(cyclopropylamino)-2-oxoethyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 18163674
2-(2,4-dimethylquinolin-3-yl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]acetamide
CID 97003081
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
N-(1-benzylpyrrolidin-3-yl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 42939395
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide
CID 39959483
2-(azepan-1-yl)-N-[(3S)-1-benzylpyrrolidin-3-yl]acetamide
CID 131913098
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-phenylbutanamide
CID 51947538
3-(1,3-benzothiazol-2-yl)-N-(1-benzylpyrrolidin-3-yl)propanamide
CID 17440094
N-(1-benzylpiperidin-3-yl)-2-methylquinoline-3-carboxamide
CID 86981138
N-(1-benzylpyrrolidin-3-yl)-3-(ethylamino)propanamide
CID 62833579
N-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 94785030

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide?
The IUPAC name of N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide (CID 25347389) is N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide.
What is the SMILES notation for N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide?
The canonical SMILES for N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide is Cc1nc2ccccc2c(C)c1CC(=O)N[C@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide?
The InChIKey is JPEYBTUTQDQPGR-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H27N3O/c1-17-21-10-6-7-11-23(21)25-18(2)22(17)14-24(28)26-20-12-13-27(16-20)15-19-8-4-3-5-9-19/h3-11,20H,12-16H2,1-2H3,(H,26,28)/t20-/m0/s1.
What are the key properties of N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide?
N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide has a molecular weight of 373.50 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide is sourced from PubChem (CID 25347389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).