[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate

C20H18N2O5 — CID 2573573

IUPAC[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
SMILESCOc1ccc(C)cc1NC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C20H18N2O5/c1-12-7-8-17(26-2)16(9-12)22-19(24)11-27-20(25)14-10-18(23)21-15-6-4-3-5-13(14)15/h3-10H,11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyILQUKJSYIVHBNF-UHFFFAOYSA-N
MW366.37 g/mol
LogP2.64
Rot. Bonds5

About [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate

[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate (PubChem CID 2573573) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
PubChem CID2573573
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
SMILESCOc1ccc(C)cc1NC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C20H18N2O5/c1-12-7-8-17(26-2)16(9-12)22-19(24)11-27-20(25)14-10-18(23)21-15-6-4-3-5-13(14)15/h3-10H,11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyILQUKJSYIVHBNF-UHFFFAOYSA-N
XLogP2.64
TPSA97.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,5-dimethylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573641
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methoxybenzoate
CID 2715006
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573652
[2-(4-methoxyanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573596
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 1H-indole-2-carboxylate
CID 7723432
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 7761895
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2413178
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2387654
[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2489819
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2435196
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573437
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 1H-indole-3-carboxylate
CID 7888845

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate (CID 2573573) is [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate is COc1ccc(C)cc1NC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is ILQUKJSYIVHBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-12-7-8-17(26-2)16(9-12)22-19(24)11-27-20(25)14-10-18(23)21-15-6-4-3-5-13(14)15/h3-10H,11H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 366.37 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 2573573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).