ethyl 6-ethoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate

C22H24N2O4 — CID 22333887

IUPACethyl 6-ethoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1cc(C)ccc1OC
InChIInChI=1S/C22H24N2O4/c1-5-27-15-8-9-18-16(12-15)21(17(13-23-18)22(25)28-6-2)24-19-11-14(3)7-10-20(19)26-4/h7-13H,5-6H2,1-4H3,(H,23,24)
InChIKeyMFKFTITWPFTWNX-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.87
Rot. Bonds7

About ethyl 6-ethoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate

ethyl 6-ethoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate (PubChem CID 22333887) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is ethyl 6-ethoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-ethoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate
PubChem CID22333887
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Nameethyl 6-ethoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1cc(C)ccc1OC
InChIInChI=1S/C22H24N2O4/c1-5-27-15-8-9-18-16(12-15)21(17(13-23-18)22(25)28-6-2)24-19-11-14(3)7-10-20(19)26-4/h7-13H,5-6H2,1-4H3,(H,23,24)
InChIKeyMFKFTITWPFTWNX-UHFFFAOYSA-N
XLogP4.87
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-ethoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate?
The IUPAC name of ethyl 6-ethoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate (CID 22333887) is ethyl 6-ethoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-ethoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 6-ethoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1cc(C)ccc1OC.
What is the InChIKey of ethyl 6-ethoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate?
The InChIKey is MFKFTITWPFTWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-5-27-15-8-9-18-16(12-15)21(17(13-23-18)22(25)28-6-2)24-19-11-14(3)7-10-20(19)26-4/h7-13H,5-6H2,1-4H3,(H,23,24).
What are the key properties of ethyl 6-ethoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate?
ethyl 6-ethoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate has a molecular weight of 380.44 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-ethoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate is sourced from PubChem (CID 22333887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).