[2-oxo-2-(quinolin-5-ylamino)ethyl] 3,5-dimethylbenzoate

C20H18N2O3 — CID 41352483

IUPAC[2-oxo-2-(quinolin-5-ylamino)ethyl] 3,5-dimethylbenzoate
SMILESCc1cc(C)cc(C(=O)OCC(=O)Nc2cccc3ncccc23)c1
InChIInChI=1S/C20H18N2O3/c1-13-9-14(2)11-15(10-13)20(24)25-12-19(23)22-18-7-3-6-17-16(18)5-4-8-21-17/h3-11H,12H2,1-2H3,(H,22,23)
InChIKeyGPSPQBXVUDUJJN-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.65
Rot. Bonds4

About [2-oxo-2-(quinolin-5-ylamino)ethyl] 3,5-dimethylbenzoate

[2-oxo-2-(quinolin-5-ylamino)ethyl] 3,5-dimethylbenzoate (PubChem CID 41352483) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is [2-oxo-2-(quinolin-5-ylamino)ethyl] 3,5-dimethylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-(quinolin-5-ylamino)ethyl] 3,5-dimethylbenzoate
PubChem CID41352483
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name[2-oxo-2-(quinolin-5-ylamino)ethyl] 3,5-dimethylbenzoate
SMILESCc1cc(C)cc(C(=O)OCC(=O)Nc2cccc3ncccc23)c1
InChIInChI=1S/C20H18N2O3/c1-13-9-14(2)11-15(10-13)20(24)25-12-19(23)22-18-7-3-6-17-16(18)5-4-8-21-17/h3-11H,12H2,1-2H3,(H,22,23)
InChIKeyGPSPQBXVUDUJJN-UHFFFAOYSA-N
XLogP3.65
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(quinolin-5-ylamino)ethyl] 4-methoxybenzoate
CID 41332969
[2-oxo-2-(quinolin-5-ylamino)ethyl] naphthalene-2-carboxylate
CID 17485524
[2-oxo-2-(quinolin-5-ylamino)ethyl] 4-methyl-3-nitrobenzoate
CID 41353083
[2-oxo-2-(quinolin-5-ylamino)ethyl] 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 24686471
2-(2-ethylphenoxy)-N-quinolin-5-ylacetamide
CID 2524325
[2-oxo-2-(quinolin-5-ylamino)ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate
CID 24593960
[2-oxo-2-(quinolin-5-ylamino)ethyl] 5,7-dimethoxy-1H-indole-2-carboxylate
CID 46543109
2-(4-chlorophenoxy)-N-quinolin-5-ylacetamide
CID 952570
3,3-dimethyl-N-quinolin-5-ylbutanamide
CID 24654624
2-(2,3-dihydro-1H-inden-5-yloxy)-N-quinolin-5-ylacetamide
CID 3531115
2-chloro-N-quinolin-5-ylacetamide;hydrochloride
CID 155943918
[2-(2-nitroanilino)-2-oxoethyl] 3,5-dimethylbenzoate
CID 8536448

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(quinolin-5-ylamino)ethyl] 3,5-dimethylbenzoate?
The IUPAC name of [2-oxo-2-(quinolin-5-ylamino)ethyl] 3,5-dimethylbenzoate (CID 41352483) is [2-oxo-2-(quinolin-5-ylamino)ethyl] 3,5-dimethylbenzoate.
What is the SMILES notation for [2-oxo-2-(quinolin-5-ylamino)ethyl] 3,5-dimethylbenzoate?
The canonical SMILES for [2-oxo-2-(quinolin-5-ylamino)ethyl] 3,5-dimethylbenzoate is Cc1cc(C)cc(C(=O)OCC(=O)Nc2cccc3ncccc23)c1.
What is the InChIKey of [2-oxo-2-(quinolin-5-ylamino)ethyl] 3,5-dimethylbenzoate?
The InChIKey is GPSPQBXVUDUJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-13-9-14(2)11-15(10-13)20(24)25-12-19(23)22-18-7-3-6-17-16(18)5-4-8-21-17/h3-11H,12H2,1-2H3,(H,22,23).
What are the key properties of [2-oxo-2-(quinolin-5-ylamino)ethyl] 3,5-dimethylbenzoate?
[2-oxo-2-(quinolin-5-ylamino)ethyl] 3,5-dimethylbenzoate has a molecular weight of 334.38 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(quinolin-5-ylamino)ethyl] 3,5-dimethylbenzoate is sourced from PubChem (CID 41352483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).