ethyl 2-(3-methoxyphenyl)-4-[2-(3-methylanilino)-2-oxoethoxy]quinoline-6-carboxylate

C28H26N2O5 — CID 46298739

IUPACethyl 2-(3-methoxyphenyl)-4-[2-(3-methylanilino)-2-oxoethoxy]quinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(-c3cccc(OC)c3)cc(OCC(=O)Nc3cccc(C)c3)c2c1
InChIInChI=1S/C28H26N2O5/c1-4-34-28(32)20-11-12-24-23(15-20)26(16-25(30-24)19-8-6-10-22(14-19)33-3)35-17-27(31)29-21-9-5-7-18(2)13-21/h5-16H,4,17H2,1-3H3,(H,29,31)
InChIKeyUBTTWHGNOXGOGY-UHFFFAOYSA-N
MW470.53 g/mol
LogP5.41
Rot. Bonds8

About ethyl 2-(3-methoxyphenyl)-4-[2-(3-methylanilino)-2-oxoethoxy]quinoline-6-carboxylate

ethyl 2-(3-methoxyphenyl)-4-[2-(3-methylanilino)-2-oxoethoxy]quinoline-6-carboxylate (PubChem CID 46298739) has the molecular formula C28H26N2O5 and a molecular weight of 470.53 g/mol. Its IUPAC name is ethyl 2-(3-methoxyphenyl)-4-[2-(3-methylanilino)-2-oxoethoxy]quinoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-methoxyphenyl)-4-[2-(3-methylanilino)-2-oxoethoxy]quinoline-6-carboxylate
PubChem CID46298739
Molecular FormulaC28H26N2O5
Molecular Weight470.53 g/mol
Exact Mass470.18
IUPAC Nameethyl 2-(3-methoxyphenyl)-4-[2-(3-methylanilino)-2-oxoethoxy]quinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(-c3cccc(OC)c3)cc(OCC(=O)Nc3cccc(C)c3)c2c1
InChIInChI=1S/C28H26N2O5/c1-4-34-28(32)20-11-12-24-23(15-20)26(16-25(30-24)19-8-6-10-22(14-19)33-3)35-17-27(31)29-21-9-5-7-18(2)13-21/h5-16H,4,17H2,1-3H3,(H,29,31)
InChIKeyUBTTWHGNOXGOGY-UHFFFAOYSA-N
XLogP5.41
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.53
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[2-(3,4-difluoroanilino)-2-oxoethoxy]-2-(3-methoxyphenyl)quinoline-6-carboxylate
CID 46298723
ethyl 4-[2-(4-chloroanilino)-2-oxoethoxy]-2-(3-methoxyphenyl)quinoline-6-carboxylate
CID 46298722
ethyl 4-[2-(3-fluoro-4-methylanilino)-2-oxoethoxy]-2-(3-methoxyphenyl)quinoline-6-carboxylate
CID 46298724
ethyl 4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-2-phenylquinoline-6-carboxylate
CID 46298787
4-ethoxy-N,2-bis(3-methoxyphenyl)quinoline-6-carboxamide
CID 46318881
ethyl 4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-2-phenylquinoline-6-carboxylate
CID 46298757
ethyl 4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]-2-phenylquinoline-6-carboxylate
CID 46298759
N-(3-methoxyphenyl)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide
CID 46298915
4-ethoxy-N-(2-methoxy-5-methylphenyl)-2-(3-methoxyphenyl)quinoline-6-carboxamide
CID 46318892
ethyl 4-ethoxy-2-phenylquinoline-6-carboxylate
CID 22425101
ethyl 4-[2-(4-acetylanilino)-2-oxoethoxy]-2-(4-fluorophenyl)quinoline-6-carboxylate
CID 46298879
ethyl 4-(2-amino-2-oxoethoxy)-2-phenylquinoline-6-carboxylate
CID 46298743

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methoxyphenyl)-4-[2-(3-methylanilino)-2-oxoethoxy]quinoline-6-carboxylate?
The IUPAC name of ethyl 2-(3-methoxyphenyl)-4-[2-(3-methylanilino)-2-oxoethoxy]quinoline-6-carboxylate (CID 46298739) is ethyl 2-(3-methoxyphenyl)-4-[2-(3-methylanilino)-2-oxoethoxy]quinoline-6-carboxylate.
What is the SMILES notation for ethyl 2-(3-methoxyphenyl)-4-[2-(3-methylanilino)-2-oxoethoxy]quinoline-6-carboxylate?
The canonical SMILES for ethyl 2-(3-methoxyphenyl)-4-[2-(3-methylanilino)-2-oxoethoxy]quinoline-6-carboxylate is CCOC(=O)c1ccc2nc(-c3cccc(OC)c3)cc(OCC(=O)Nc3cccc(C)c3)c2c1.
What is the InChIKey of ethyl 2-(3-methoxyphenyl)-4-[2-(3-methylanilino)-2-oxoethoxy]quinoline-6-carboxylate?
The InChIKey is UBTTWHGNOXGOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O5/c1-4-34-28(32)20-11-12-24-23(15-20)26(16-25(30-24)19-8-6-10-22(14-19)33-3)35-17-27(31)29-21-9-5-7-18(2)13-21/h5-16H,4,17H2,1-3H3,(H,29,31).
What are the key properties of ethyl 2-(3-methoxyphenyl)-4-[2-(3-methylanilino)-2-oxoethoxy]quinoline-6-carboxylate?
ethyl 2-(3-methoxyphenyl)-4-[2-(3-methylanilino)-2-oxoethoxy]quinoline-6-carboxylate has a molecular weight of 470.53 g/mol, XLogP of 5.41, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methoxyphenyl)-4-[2-(3-methylanilino)-2-oxoethoxy]quinoline-6-carboxylate is sourced from PubChem (CID 46298739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).