[2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate

C22H22N2O4 — CID 2089464

IUPAC[2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
SMILESCOc1ccc(-c2cc(C(=O)OCC(=O)NC(C)C)c3ccccc3n2)cc1
InChIInChI=1S/C22H22N2O4/c1-14(2)23-21(25)13-28-22(26)18-12-20(15-8-10-16(27-3)11-9-15)24-19-7-5-4-6-17(18)19/h4-12,14H,13H2,1-3H3,(H,23,25)
InChIKeyDIRRMYFWNDLMPA-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.59
Rot. Bonds6

About [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate

[2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate (PubChem CID 2089464) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
PubChem CID2089464
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name[2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
SMILESCOc1ccc(-c2cc(C(=O)OCC(=O)NC(C)C)c3ccccc3n2)cc1
InChIInChI=1S/C22H22N2O4/c1-14(2)23-21(25)13-28-22(26)18-12-20(15-8-10-16(27-3)11-9-15)24-19-7-5-4-6-17(18)19/h4-12,14H,13H2,1-3H3,(H,23,25)
InChIKeyDIRRMYFWNDLMPA-UHFFFAOYSA-N
XLogP3.59
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate?
The IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate (CID 2089464) is [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate?
The canonical SMILES for [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate is COc1ccc(-c2cc(C(=O)OCC(=O)NC(C)C)c3ccccc3n2)cc1.
What is the InChIKey of [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate?
The InChIKey is DIRRMYFWNDLMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-14(2)23-21(25)13-28-22(26)18-12-20(15-8-10-16(27-3)11-9-15)24-19-7-5-4-6-17(18)19/h4-12,14H,13H2,1-3H3,(H,23,25).
What are the key properties of [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate?
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate has a molecular weight of 378.43 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 2089464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).