[2-oxo-2-(quinolin-5-ylamino)ethyl] 4-methoxybenzoate

C19H16N2O4 — CID 41332969

IUPAC[2-oxo-2-(quinolin-5-ylamino)ethyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)Nc2cccc3ncccc23)cc1
InChIInChI=1S/C19H16N2O4/c1-24-14-9-7-13(8-10-14)19(23)25-12-18(22)21-17-6-2-5-16-15(17)4-3-11-20-16/h2-11H,12H2,1H3,(H,21,22)
InChIKeyLNILLYOLQQODCX-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.04
Rot. Bonds5

About [2-oxo-2-(quinolin-5-ylamino)ethyl] 4-methoxybenzoate

[2-oxo-2-(quinolin-5-ylamino)ethyl] 4-methoxybenzoate (PubChem CID 41332969) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is [2-oxo-2-(quinolin-5-ylamino)ethyl] 4-methoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(quinolin-5-ylamino)ethyl] 4-methoxybenzoate
PubChem CID41332969
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name[2-oxo-2-(quinolin-5-ylamino)ethyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)Nc2cccc3ncccc23)cc1
InChIInChI=1S/C19H16N2O4/c1-24-14-9-7-13(8-10-14)19(23)25-12-18(22)21-17-6-2-5-16-15(17)4-3-11-20-16/h2-11H,12H2,1H3,(H,21,22)
InChIKeyLNILLYOLQQODCX-UHFFFAOYSA-N
XLogP3.04
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(quinolin-5-ylamino)ethyl] naphthalene-2-carboxylate
CID 17485524
[2-oxo-2-(quinolin-5-ylamino)ethyl] 3,5-dimethylbenzoate
CID 41352483
[2-oxo-2-(quinolin-5-ylamino)ethyl] 5,7-dimethoxy-1H-indole-2-carboxylate
CID 46543109
[2-oxo-2-(quinolin-5-ylamino)ethyl] 4-methyl-3-nitrobenzoate
CID 41353083
2-(4-chlorophenoxy)-N-quinolin-5-ylacetamide
CID 952570
[2-oxo-2-(quinolin-5-ylamino)ethyl] 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 24686471
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-methoxybenzoate
CID 7862075
methyl N-quinolin-5-ylcarbamate
CID 110734012
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-carbamoylbenzoate
CID 30799825
3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-quinolin-5-ylpropanamide
CID 78821919
[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate
CID 55525664
N-quinolin-5-yl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 8873348

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(quinolin-5-ylamino)ethyl] 4-methoxybenzoate?
The IUPAC name of [2-oxo-2-(quinolin-5-ylamino)ethyl] 4-methoxybenzoate (CID 41332969) is [2-oxo-2-(quinolin-5-ylamino)ethyl] 4-methoxybenzoate.
What is the SMILES notation for [2-oxo-2-(quinolin-5-ylamino)ethyl] 4-methoxybenzoate?
The canonical SMILES for [2-oxo-2-(quinolin-5-ylamino)ethyl] 4-methoxybenzoate is COc1ccc(C(=O)OCC(=O)Nc2cccc3ncccc23)cc1.
What is the InChIKey of [2-oxo-2-(quinolin-5-ylamino)ethyl] 4-methoxybenzoate?
The InChIKey is LNILLYOLQQODCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-24-14-9-7-13(8-10-14)19(23)25-12-18(22)21-17-6-2-5-16-15(17)4-3-11-20-16/h2-11H,12H2,1H3,(H,21,22).
What are the key properties of [2-oxo-2-(quinolin-5-ylamino)ethyl] 4-methoxybenzoate?
[2-oxo-2-(quinolin-5-ylamino)ethyl] 4-methoxybenzoate has a molecular weight of 336.35 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(quinolin-5-ylamino)ethyl] 4-methoxybenzoate is sourced from PubChem (CID 41332969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).