ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methoxyquinoline-3-carboxylate

C21H20N2O5 — CID 1032904

IUPACethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(OC)cc2c1Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C21H20N2O5/c1-3-26-21(24)16-12-22-17-6-5-14(25-2)11-15(17)20(16)23-13-4-7-18-19(10-13)28-9-8-27-18/h4-7,10-12H,3,8-9H2,1-2H3,(H,22,23)
InChIKeyWRZAHOLHCLGZJH-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.93
Rot. Bonds5

About ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methoxyquinoline-3-carboxylate

ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methoxyquinoline-3-carboxylate (PubChem CID 1032904) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methoxyquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methoxyquinoline-3-carboxylate
PubChem CID1032904
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Nameethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(OC)cc2c1Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C21H20N2O5/c1-3-26-21(24)16-12-22-17-6-5-14(25-2)11-15(17)20(16)23-13-4-7-18-19(10-13)28-9-8-27-18/h4-7,10-12H,3,8-9H2,1-2H3,(H,22,23)
InChIKeyWRZAHOLHCLGZJH-UHFFFAOYSA-N
XLogP3.93
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methoxyquinoline-3-carboxylate with MolForge

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Related Compounds

ethyl 4-(3-bromo-4-methylanilino)-6-methoxyquinoline-3-carboxylate
CID 23903151
ethyl 4-(3-ethoxycarbonylanilino)-6-methoxyquinoline-3-carboxylate
CID 23885216
3-[(3-ethoxycarbonyl-6-methoxyquinolin-4-yl)amino]benzoic acid;hydrochloride
CID 2790549
ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-8-methylquinoline-3-carboxylate
CID 1187551
ethyl 6-methoxy-4-(methylamino)quinoline-3-carboxylate
CID 46397911
ethyl 4-(3-methoxyanilino)quinoline-3-carboxylate
CID 709089
ethyl 4-(2-hydroxypropylamino)-6-methoxyquinoline-3-carboxylate
CID 2791600
ethyl 6-ethoxy-4-(4-propan-2-ylanilino)quinoline-3-carboxylate
CID 22333888
3-[(6-ethoxy-3-ethoxycarbonylquinolin-4-yl)amino]benzoic acid
CID 1187193
ethyl 6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxylate
CID 31535174
ethyl 4-(4-methoxycarbonylanilino)-6-methylquinoline-3-carboxylate
CID 1180834
diethyl 4-(4-propoxyanilino)quinoline-3,6-dicarboxylate
CID 23794912

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methoxyquinoline-3-carboxylate?
The IUPAC name of ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methoxyquinoline-3-carboxylate (CID 1032904) is ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methoxyquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methoxyquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methoxyquinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(OC)cc2c1Nc1ccc2c(c1)OCCO2.
What is the InChIKey of ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methoxyquinoline-3-carboxylate?
The InChIKey is WRZAHOLHCLGZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5/c1-3-26-21(24)16-12-22-17-6-5-14(25-2)11-15(17)20(16)23-13-4-7-18-19(10-13)28-9-8-27-18/h4-7,10-12H,3,8-9H2,1-2H3,(H,22,23).
What are the key properties of ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methoxyquinoline-3-carboxylate?
ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methoxyquinoline-3-carboxylate has a molecular weight of 380.40 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methoxyquinoline-3-carboxylate is sourced from PubChem (CID 1032904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).