diethyl 4-aminoquinoline-3,6-dicarboxylate

C15H16N2O4 — CID 17028175

IUPACdiethyl 4-aminoquinoline-3,6-dicarboxylate
SMILESCCOC(=O)c1ccc2ncc(C(=O)OCC)c(N)c2c1
InChIInChI=1S/C15H16N2O4/c1-3-20-14(18)9-5-6-12-10(7-9)13(16)11(8-17-12)15(19)21-4-2/h5-8H,3-4H2,1-2H3,(H2,16,17)
InChIKeyOPSDJTRVRBVVNM-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.17
Rot. Bonds4

About diethyl 4-aminoquinoline-3,6-dicarboxylate

diethyl 4-aminoquinoline-3,6-dicarboxylate (PubChem CID 17028175) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is diethyl 4-aminoquinoline-3,6-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-aminoquinoline-3,6-dicarboxylate
PubChem CID17028175
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Namediethyl 4-aminoquinoline-3,6-dicarboxylate
SMILESCCOC(=O)c1ccc2ncc(C(=O)OCC)c(N)c2c1
InChIInChI=1S/C15H16N2O4/c1-3-20-14(18)9-5-6-12-10(7-9)13(16)11(8-17-12)15(19)21-4-2/h5-8H,3-4H2,1-2H3,(H2,16,17)
InChIKeyOPSDJTRVRBVVNM-UHFFFAOYSA-N
XLogP2.17
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of diethyl 4-aminoquinoline-3,6-dicarboxylate?
The IUPAC name of diethyl 4-aminoquinoline-3,6-dicarboxylate (CID 17028175) is diethyl 4-aminoquinoline-3,6-dicarboxylate.
What is the SMILES notation for diethyl 4-aminoquinoline-3,6-dicarboxylate?
The canonical SMILES for diethyl 4-aminoquinoline-3,6-dicarboxylate is CCOC(=O)c1ccc2ncc(C(=O)OCC)c(N)c2c1.
What is the InChIKey of diethyl 4-aminoquinoline-3,6-dicarboxylate?
The InChIKey is OPSDJTRVRBVVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-3-20-14(18)9-5-6-12-10(7-9)13(16)11(8-17-12)15(19)21-4-2/h5-8H,3-4H2,1-2H3,(H2,16,17).
What are the key properties of diethyl 4-aminoquinoline-3,6-dicarboxylate?
diethyl 4-aminoquinoline-3,6-dicarboxylate has a molecular weight of 288.30 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-aminoquinoline-3,6-dicarboxylate is sourced from PubChem (CID 17028175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).