diethyl 4-(dimethylamino)quinoline-3,7-dicarboxylate

C17H20N2O4 — CID 43839933

IUPACdiethyl 4-(dimethylamino)quinoline-3,7-dicarboxylate
SMILESCCOC(=O)c1ccc2c(N(C)C)c(C(=O)OCC)cnc2c1
InChIInChI=1S/C17H20N2O4/c1-5-22-16(20)11-7-8-12-14(9-11)18-10-13(15(12)19(3)4)17(21)23-6-2/h7-10H,5-6H2,1-4H3
InChIKeyRNRCABJQMJURTD-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.65
Rot. Bonds5

About diethyl 4-(dimethylamino)quinoline-3,7-dicarboxylate

diethyl 4-(dimethylamino)quinoline-3,7-dicarboxylate (PubChem CID 43839933) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is diethyl 4-(dimethylamino)quinoline-3,7-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-(dimethylamino)quinoline-3,7-dicarboxylate
PubChem CID43839933
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Namediethyl 4-(dimethylamino)quinoline-3,7-dicarboxylate
SMILESCCOC(=O)c1ccc2c(N(C)C)c(C(=O)OCC)cnc2c1
InChIInChI=1S/C17H20N2O4/c1-5-22-16(20)11-7-8-12-14(9-11)18-10-13(15(12)19(3)4)17(21)23-6-2/h7-10H,5-6H2,1-4H3
InChIKeyRNRCABJQMJURTD-UHFFFAOYSA-N
XLogP2.65
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 7-bromo-4-(dimethylamino)quinoline-3-carboxylate
CID 50877246
ethyl 7-chloro-4-(dimethylamino)-6-methoxyquinoline-3-carboxylate
CID 54772978
diethyl 4-aminoquinoline-3,6-dicarboxylate
CID 17028175
3-O-ethyl 7-O-methyl 4-(methylamino)quinoline-3,7-dicarboxylate
CID 46397906
ethyl 4-chloroquinazoline-7-carboxylate
CID 71743581
diethyl 4-[2-(dimethylamino)ethylamino]quinoline-3,6-dicarboxylate
CID 1078338
ethyl 4-(dimethylamino)-7-fluoro-8-(2,3,5-trifluorophenyl)quinoline-3-carboxylate
CID 156881974
ethyl 4-[benzyl(methyl)amino]-6-ethoxyquinoline-3-carboxylate
CID 6621000
ethyl 4-ethoxyquinoline-7-carboxylate
CID 91667888
ethyl 4-chloro-7-hydroxyquinoline-3-carboxylate
CID 135735505
ethyl 4-amino-7-chloroquinoline-3-carboxylate
CID 609428
ethyl 4-chloro-6-(dimethylamino)quinoline-3-carboxylate
CID 43617132

Frequently Asked Questions

What is the IUPAC name of diethyl 4-(dimethylamino)quinoline-3,7-dicarboxylate?
The IUPAC name of diethyl 4-(dimethylamino)quinoline-3,7-dicarboxylate (CID 43839933) is diethyl 4-(dimethylamino)quinoline-3,7-dicarboxylate.
What is the SMILES notation for diethyl 4-(dimethylamino)quinoline-3,7-dicarboxylate?
The canonical SMILES for diethyl 4-(dimethylamino)quinoline-3,7-dicarboxylate is CCOC(=O)c1ccc2c(N(C)C)c(C(=O)OCC)cnc2c1.
What is the InChIKey of diethyl 4-(dimethylamino)quinoline-3,7-dicarboxylate?
The InChIKey is RNRCABJQMJURTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-5-22-16(20)11-7-8-12-14(9-11)18-10-13(15(12)19(3)4)17(21)23-6-2/h7-10H,5-6H2,1-4H3.
What are the key properties of diethyl 4-(dimethylamino)quinoline-3,7-dicarboxylate?
diethyl 4-(dimethylamino)quinoline-3,7-dicarboxylate has a molecular weight of 316.36 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-(dimethylamino)quinoline-3,7-dicarboxylate is sourced from PubChem (CID 43839933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).