2-(3-anilinopyrrolidin-1-yl)-2-oxo-N-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]acetamide

C23H28N4O2 — CID 166240926

IUPAC2-(3-anilinopyrrolidin-1-yl)-2-oxo-N-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]acetamide
SMILESO=C(NCCC1CCc2ccccc2N1)C(=O)N1CCC(Nc2ccccc2)C1
InChIInChI=1S/C23H28N4O2/c28-22(24-14-12-19-11-10-17-6-4-5-9-21(17)26-19)23(29)27-15-13-20(16-27)25-18-7-2-1-3-8-18/h1-9,19-20,25-26H,10-16H2,(H,24,28)
InChIKeyLWNOCOLSUKKQQK-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.63
Rot. Bonds5

About 2-(3-anilinopyrrolidin-1-yl)-2-oxo-N-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]acetamide

2-(3-anilinopyrrolidin-1-yl)-2-oxo-N-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]acetamide (PubChem CID 166240926) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-(3-anilinopyrrolidin-1-yl)-2-oxo-N-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-anilinopyrrolidin-1-yl)-2-oxo-N-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]acetamide
PubChem CID166240926
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name2-(3-anilinopyrrolidin-1-yl)-2-oxo-N-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]acetamide
SMILESO=C(NCCC1CCc2ccccc2N1)C(=O)N1CCC(Nc2ccccc2)C1
InChIInChI=1S/C23H28N4O2/c28-22(24-14-12-19-11-10-17-6-4-5-9-21(17)26-19)23(29)27-15-13-20(16-27)25-18-7-2-1-3-8-18/h1-9,19-20,25-26H,10-16H2,(H,24,28)
InChIKeyLWNOCOLSUKKQQK-UHFFFAOYSA-N
XLogP2.63
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(3-anilinopyrrolidin-1-yl)-cyclopropylmethanone
CID 134813424
N-[2-[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide
CID 164631185
benzyl (3R)-3-anilinopyrrolidine-1-carboxylate
CID 171854263
2-[(3S)-3-anilinopyrrolidin-1-yl]-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-oxoacetamide
CID 99636556
(3R)-3-anilino-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide
CID 95150905
1-(3-anilinopyrrolidin-1-yl)-2-(4-tert-butylphenyl)ethane-1,2-dione
CID 56502423
(3-anilinopyrrolidin-1-yl)-(4-bromo-1-methylpyrrol-2-yl)methanone
CID 71994895
5-(1,2-oxazol-3-yl)-N-[2-[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]ethyl]-1,3-oxazole-4-carboxamide
CID 164637611
(3S)-3-(4-bromoanilino)pyrrolidine-1-carboxylic acid
CID 170189829
4-[[3-(3-bromoanilino)piperidine-1-carbonyl]amino]butanoic acid
CID 122022578
(3-anilinopyrrolidin-1-yl)-(5-benzyl-2-hydroxyphenyl)methanone
CID 56504216
(3R)-3-anilino-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide
CID 95239711

Frequently Asked Questions

What is the IUPAC name of 2-(3-anilinopyrrolidin-1-yl)-2-oxo-N-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]acetamide?
The IUPAC name of 2-(3-anilinopyrrolidin-1-yl)-2-oxo-N-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]acetamide (CID 166240926) is 2-(3-anilinopyrrolidin-1-yl)-2-oxo-N-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-anilinopyrrolidin-1-yl)-2-oxo-N-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-anilinopyrrolidin-1-yl)-2-oxo-N-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]acetamide is O=C(NCCC1CCc2ccccc2N1)C(=O)N1CCC(Nc2ccccc2)C1.
What is the InChIKey of 2-(3-anilinopyrrolidin-1-yl)-2-oxo-N-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]acetamide?
The InChIKey is LWNOCOLSUKKQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c28-22(24-14-12-19-11-10-17-6-4-5-9-21(17)26-19)23(29)27-15-13-20(16-27)25-18-7-2-1-3-8-18/h1-9,19-20,25-26H,10-16H2,(H,24,28).
What are the key properties of 2-(3-anilinopyrrolidin-1-yl)-2-oxo-N-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]acetamide?
2-(3-anilinopyrrolidin-1-yl)-2-oxo-N-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]acetamide has a molecular weight of 392.50 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-anilinopyrrolidin-1-yl)-2-oxo-N-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]acetamide is sourced from PubChem (CID 166240926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).