ethyl 4-(2,5-dimethoxyanilino)-8-methoxyquinoline-3-carboxylate

C21H22N2O5 — CID 22333868

IUPACethyl 4-(2,5-dimethoxyanilino)-8-methoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(OC)cccc2c1Nc1cc(OC)ccc1OC
InChIInChI=1S/C21H22N2O5/c1-5-28-21(24)15-12-22-20-14(7-6-8-18(20)27-4)19(15)23-16-11-13(25-2)9-10-17(16)26-3/h6-12H,5H2,1-4H3,(H,22,23)
InChIKeyWCRIWIVWRXHLIP-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.18
Rot. Bonds7

About ethyl 4-(2,5-dimethoxyanilino)-8-methoxyquinoline-3-carboxylate

ethyl 4-(2,5-dimethoxyanilino)-8-methoxyquinoline-3-carboxylate (PubChem CID 22333868) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is ethyl 4-(2,5-dimethoxyanilino)-8-methoxyquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2,5-dimethoxyanilino)-8-methoxyquinoline-3-carboxylate
PubChem CID22333868
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Nameethyl 4-(2,5-dimethoxyanilino)-8-methoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(OC)cccc2c1Nc1cc(OC)ccc1OC
InChIInChI=1S/C21H22N2O5/c1-5-28-21(24)15-12-22-20-14(7-6-8-18(20)27-4)19(15)23-16-11-13(25-2)9-10-17(16)26-3/h6-12H,5H2,1-4H3,(H,22,23)
InChIKeyWCRIWIVWRXHLIP-UHFFFAOYSA-N
XLogP4.18
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 8-methoxy-4-(2-methoxyanilino)quinoline-3-carboxylate;hydrochloride
CID 13038443
ethyl 7,8-dichloro-4-(2,5-dimethoxyanilino)quinoline-3-carboxylate
CID 23995336
ethyl 8-methoxy-4-(naphthalen-1-ylamino)quinoline-3-carboxylate
CID 1190582
ethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate
CID 13038439
ethyl 8-ethyl-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate
CID 23821530
3-[(3-ethoxycarbonyl-8-methoxyquinolin-4-yl)amino]-4-methylbenzoic acid;hydrochloride
CID 18590598
ethyl 4-(2-ethylanilino)-8-methoxyquinoline-3-carboxylate phosphate
CID 20529012
ethyl 8-methoxy-4-(4-phenylmethoxyanilino)quinoline-3-carboxylate
CID 23769624
ethyl 6,8-dichloro-4-(5-chloro-2-methoxyanilino)quinoline-3-carboxylate
CID 23853494
ethyl 4-[[(2R)-2-hydroxypropyl]amino]-8-methoxyquinoline-3-carboxylate
CID 708704
ethyl 4-(2,4-dimethoxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 19258401
ethyl 6-ethoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate
CID 22333887

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,5-dimethoxyanilino)-8-methoxyquinoline-3-carboxylate?
The IUPAC name of ethyl 4-(2,5-dimethoxyanilino)-8-methoxyquinoline-3-carboxylate (CID 22333868) is ethyl 4-(2,5-dimethoxyanilino)-8-methoxyquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(2,5-dimethoxyanilino)-8-methoxyquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-(2,5-dimethoxyanilino)-8-methoxyquinoline-3-carboxylate is CCOC(=O)c1cnc2c(OC)cccc2c1Nc1cc(OC)ccc1OC.
What is the InChIKey of ethyl 4-(2,5-dimethoxyanilino)-8-methoxyquinoline-3-carboxylate?
The InChIKey is WCRIWIVWRXHLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-5-28-21(24)15-12-22-20-14(7-6-8-18(20)27-4)19(15)23-16-11-13(25-2)9-10-17(16)26-3/h6-12H,5H2,1-4H3,(H,22,23).
What are the key properties of ethyl 4-(2,5-dimethoxyanilino)-8-methoxyquinoline-3-carboxylate?
ethyl 4-(2,5-dimethoxyanilino)-8-methoxyquinoline-3-carboxylate has a molecular weight of 382.42 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,5-dimethoxyanilino)-8-methoxyquinoline-3-carboxylate is sourced from PubChem (CID 22333868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).