2-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-N-quinolin-5-ylpropanamide

C21H22N4O4 — CID 55914859

IUPAC2-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-N-quinolin-5-ylpropanamide
SMILESCOc1ccc(NC(C)C(=O)Nc2cccc3ncccc23)cc1OCC(N)=O
InChIInChI=1S/C21H22N4O4/c1-13(21(27)25-17-7-3-6-16-15(17)5-4-10-23-16)24-14-8-9-18(28-2)19(11-14)29-12-20(22)26/h3-11,13,24H,12H2,1-2H3,(H2,22,26)(H,25,27)
InChIKeyLQKZLXAADDBGRY-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.55
Rot. Bonds8

About 2-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-N-quinolin-5-ylpropanamide

2-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-N-quinolin-5-ylpropanamide (PubChem CID 55914859) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 2-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-N-quinolin-5-ylpropanamide.

Molecular Properties

Compound Name2-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-N-quinolin-5-ylpropanamide
PubChem CID55914859
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name2-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-N-quinolin-5-ylpropanamide
SMILESCOc1ccc(NC(C)C(=O)Nc2cccc3ncccc23)cc1OCC(N)=O
InChIInChI=1S/C21H22N4O4/c1-13(21(27)25-17-7-3-6-16-15(17)5-4-10-23-16)24-14-8-9-18(28-2)19(11-14)29-12-20(22)26/h3-11,13,24H,12H2,1-2H3,(H2,22,26)(H,25,27)
InChIKeyLQKZLXAADDBGRY-UHFFFAOYSA-N
XLogP2.55
TPSA115.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-N-(2,6-dimethylphenyl)propanamide
CID 47065312
1-quinolin-5-yl-3-(3,4,5-trimethoxyphenyl)urea
CID 164620319
(2S)-2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-N-quinolin-5-ylpropanamide
CID 34281309
2-[5-[1-(2,6-difluorophenyl)ethylamino]-2-methoxyphenoxy]acetamide
CID 56805403
N-quinolin-5-yl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 8873348
2-bromo-N-quinolin-5-ylpropanamide
CID 107902854
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 167947396
[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 3-bromo-4-ethoxy-5-methoxybenzoate
CID 55526192
2-(2-ethylphenoxy)-N-quinolin-5-ylacetamide
CID 2524325
2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(2-methylphenyl)propanamide
CID 24652308
methyl N-quinolin-5-ylcarbamate
CID 110734012
4-bromo-3,5-dimethoxy-N-quinolin-5-ylbenzamide
CID 26706123

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-N-quinolin-5-ylpropanamide?
The IUPAC name of 2-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-N-quinolin-5-ylpropanamide (CID 55914859) is 2-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-N-quinolin-5-ylpropanamide.
What is the SMILES notation for 2-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-N-quinolin-5-ylpropanamide?
The canonical SMILES for 2-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-N-quinolin-5-ylpropanamide is COc1ccc(NC(C)C(=O)Nc2cccc3ncccc23)cc1OCC(N)=O.
What is the InChIKey of 2-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-N-quinolin-5-ylpropanamide?
The InChIKey is LQKZLXAADDBGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-13(21(27)25-17-7-3-6-16-15(17)5-4-10-23-16)24-14-8-9-18(28-2)19(11-14)29-12-20(22)26/h3-11,13,24H,12H2,1-2H3,(H2,22,26)(H,25,27).
What are the key properties of 2-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-N-quinolin-5-ylpropanamide?
2-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-N-quinolin-5-ylpropanamide has a molecular weight of 394.43 g/mol, XLogP of 2.55, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-N-quinolin-5-ylpropanamide is sourced from PubChem (CID 55914859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).