ethyl 4-(2-amino-2-oxoethoxy)-2-phenylquinoline-6-carboxylate

C20H18N2O4 — CID 46298743

IUPACethyl 4-(2-amino-2-oxoethoxy)-2-phenylquinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(-c3ccccc3)cc(OCC(N)=O)c2c1
InChIInChI=1S/C20H18N2O4/c1-2-25-20(24)14-8-9-16-15(10-14)18(26-12-19(21)23)11-17(22-16)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H2,21,23)
InChIKeyRXFRVVZMLODJCJ-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.94
Rot. Bonds6

About ethyl 4-(2-amino-2-oxoethoxy)-2-phenylquinoline-6-carboxylate

ethyl 4-(2-amino-2-oxoethoxy)-2-phenylquinoline-6-carboxylate (PubChem CID 46298743) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is ethyl 4-(2-amino-2-oxoethoxy)-2-phenylquinoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-amino-2-oxoethoxy)-2-phenylquinoline-6-carboxylate
PubChem CID46298743
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Nameethyl 4-(2-amino-2-oxoethoxy)-2-phenylquinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(-c3ccccc3)cc(OCC(N)=O)c2c1
InChIInChI=1S/C20H18N2O4/c1-2-25-20(24)14-8-9-16-15(10-14)18(26-12-19(21)23)11-17(22-16)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H2,21,23)
InChIKeyRXFRVVZMLODJCJ-UHFFFAOYSA-N
XLogP2.94
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-ethoxy-2-phenylquinoline-6-carboxylate
CID 22425101
ethyl 4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]-2-phenylquinoline-6-carboxylate
CID 46298759
ethyl 4-[2-(N-ethyl-3-methylanilino)-2-oxoethoxy]-2-phenylquinoline-6-carboxylate
CID 46298771
ethyl 4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-2-phenylquinoline-6-carboxylate
CID 46298757
ethyl 4-[2-(benzylamino)-2-oxoethoxy]-2-(4-fluorophenyl)quinoline-6-carboxylate
CID 46298865
ethyl 4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-2-phenylquinoline-6-carboxylate
CID 46298787
ethyl 4-[2-(4-acetylanilino)-2-oxoethoxy]-2-(4-fluorophenyl)quinoline-6-carboxylate
CID 46298879
4-ethoxy-N-(4-methylphenyl)-2-phenylquinoline-6-carboxamide
CID 46318814
ethyl 2-(3-methoxyphenyl)-4-[2-(3-methylanilino)-2-oxoethoxy]quinoline-6-carboxylate
CID 46298739
N-[4-(2-amino-2-oxoethoxy)-2-phenylquinolin-6-yl]-3,4,5-trimethoxybenzamide
CID 53113500
ethyl 4-[2-(4-chloroanilino)-2-oxoethoxy]-2-(3-methoxyphenyl)quinoline-6-carboxylate
CID 46298722
methyl 4-ethoxy-2-(4-fluorophenyl)quinoline-6-carboxylate
CID 154854437

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-amino-2-oxoethoxy)-2-phenylquinoline-6-carboxylate?
The IUPAC name of ethyl 4-(2-amino-2-oxoethoxy)-2-phenylquinoline-6-carboxylate (CID 46298743) is ethyl 4-(2-amino-2-oxoethoxy)-2-phenylquinoline-6-carboxylate.
What is the SMILES notation for ethyl 4-(2-amino-2-oxoethoxy)-2-phenylquinoline-6-carboxylate?
The canonical SMILES for ethyl 4-(2-amino-2-oxoethoxy)-2-phenylquinoline-6-carboxylate is CCOC(=O)c1ccc2nc(-c3ccccc3)cc(OCC(N)=O)c2c1.
What is the InChIKey of ethyl 4-(2-amino-2-oxoethoxy)-2-phenylquinoline-6-carboxylate?
The InChIKey is RXFRVVZMLODJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-2-25-20(24)14-8-9-16-15(10-14)18(26-12-19(21)23)11-17(22-16)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H2,21,23).
What are the key properties of ethyl 4-(2-amino-2-oxoethoxy)-2-phenylquinoline-6-carboxylate?
ethyl 4-(2-amino-2-oxoethoxy)-2-phenylquinoline-6-carboxylate has a molecular weight of 350.37 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-amino-2-oxoethoxy)-2-phenylquinoline-6-carboxylate is sourced from PubChem (CID 46298743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).