[2-(2,4-dimethoxyanilino)-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate

C22H22N2O6 — CID 46676241

IUPAC[2-(2,4-dimethoxyanilino)-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate
SMILESCOc1ccc(NC(=O)COC(=O)c2cc3cc(OC)ccc3nc2C)c(OC)c1
InChIInChI=1S/C22H22N2O6/c1-13-17(10-14-9-15(27-2)5-7-18(14)23-13)22(26)30-12-21(25)24-19-8-6-16(28-3)11-20(19)29-4/h5-11H,12H2,1-4H3,(H,24,25)
InChIKeyFGDSZZHAPXKVDQ-UHFFFAOYSA-N
MW410.43 g/mol
LogP3.36
Rot. Bonds7

About [2-(2,4-dimethoxyanilino)-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate

[2-(2,4-dimethoxyanilino)-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate (PubChem CID 46676241) has the molecular formula C22H22N2O6 and a molecular weight of 410.43 g/mol. Its IUPAC name is [2-(2,4-dimethoxyanilino)-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate.

Molecular Properties

Compound Name[2-(2,4-dimethoxyanilino)-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate
PubChem CID46676241
Molecular FormulaC22H22N2O6
Molecular Weight410.43 g/mol
Exact Mass410.15
IUPAC Name[2-(2,4-dimethoxyanilino)-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate
SMILESCOc1ccc(NC(=O)COC(=O)c2cc3cc(OC)ccc3nc2C)c(OC)c1
InChIInChI=1S/C22H22N2O6/c1-13-17(10-14-9-15(27-2)5-7-18(14)23-13)22(26)30-12-21(25)24-19-8-6-16(28-3)11-20(19)29-4/h5-11H,12H2,1-4H3,(H,24,25)
InChIKeyFGDSZZHAPXKVDQ-UHFFFAOYSA-N
XLogP3.36
TPSA95.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate
CID 46676420
6-chloro-N-(2,4-dimethoxyphenyl)-2-methylquinoline-3-carboxamide
CID 17404602
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 2645350
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596368
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 6-methoxy-2-methylquinoline-3-carboxylate
CID 41022666
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 6-chloro-2-methylquinoline-3-carboxylate
CID 46676127
[2-(2,4-dimethoxyanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 23915616
N-(2,4-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 868059
[2-(2,4-dimethoxyanilino)-2-oxoethyl] quinoxaline-2-carboxylate
CID 17417789
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate
CID 37235552
[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate
CID 37235447
[2-(4-methyl-2-nitroanilino)-2-oxoethyl] 2,6-dimethylquinoline-3-carboxylate
CID 55466849

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethoxyanilino)-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate?
The IUPAC name of [2-(2,4-dimethoxyanilino)-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate (CID 46676241) is [2-(2,4-dimethoxyanilino)-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate.
What is the SMILES notation for [2-(2,4-dimethoxyanilino)-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate?
The canonical SMILES for [2-(2,4-dimethoxyanilino)-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate is COc1ccc(NC(=O)COC(=O)c2cc3cc(OC)ccc3nc2C)c(OC)c1.
What is the InChIKey of [2-(2,4-dimethoxyanilino)-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate?
The InChIKey is FGDSZZHAPXKVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O6/c1-13-17(10-14-9-15(27-2)5-7-18(14)23-13)22(26)30-12-21(25)24-19-8-6-16(28-3)11-20(19)29-4/h5-11H,12H2,1-4H3,(H,24,25).
What are the key properties of [2-(2,4-dimethoxyanilino)-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate?
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate has a molecular weight of 410.43 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethoxyanilino)-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate is sourced from PubChem (CID 46676241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).