diethyl 5,7-dichloroquinoline-2,4-dicarboxylate

C15H13Cl2NO4 — CID 19747565

IUPACdiethyl 5,7-dichloroquinoline-2,4-dicarboxylate
SMILESCCOC(=O)c1cc(C(=O)OCC)c2c(Cl)cc(Cl)cc2n1
InChIInChI=1S/C15H13Cl2NO4/c1-3-21-14(19)9-7-12(15(20)22-4-2)18-11-6-8(16)5-10(17)13(9)11/h5-7H,3-4H2,1-2H3
InChIKeySBYVSXWAKJZJJU-UHFFFAOYSA-N
MW342.18 g/mol
LogP3.89
Rot. Bonds4

About diethyl 5,7-dichloroquinoline-2,4-dicarboxylate

diethyl 5,7-dichloroquinoline-2,4-dicarboxylate (PubChem CID 19747565) has the molecular formula C15H13Cl2NO4 and a molecular weight of 342.18 g/mol. Its IUPAC name is diethyl 5,7-dichloroquinoline-2,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 5,7-dichloroquinoline-2,4-dicarboxylate
PubChem CID19747565
Molecular FormulaC15H13Cl2NO4
Molecular Weight342.18 g/mol
Exact Mass341.02
IUPAC Namediethyl 5,7-dichloroquinoline-2,4-dicarboxylate
SMILESCCOC(=O)c1cc(C(=O)OCC)c2c(Cl)cc(Cl)cc2n1
InChIInChI=1S/C15H13Cl2NO4/c1-3-21-14(19)9-7-12(15(20)22-4-2)18-11-6-8(16)5-10(17)13(9)11/h5-7H,3-4H2,1-2H3
InChIKeySBYVSXWAKJZJJU-UHFFFAOYSA-N
XLogP3.89
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of diethyl 5,7-dichloroquinoline-2,4-dicarboxylate?
The IUPAC name of diethyl 5,7-dichloroquinoline-2,4-dicarboxylate (CID 19747565) is diethyl 5,7-dichloroquinoline-2,4-dicarboxylate.
What is the SMILES notation for diethyl 5,7-dichloroquinoline-2,4-dicarboxylate?
The canonical SMILES for diethyl 5,7-dichloroquinoline-2,4-dicarboxylate is CCOC(=O)c1cc(C(=O)OCC)c2c(Cl)cc(Cl)cc2n1.
What is the InChIKey of diethyl 5,7-dichloroquinoline-2,4-dicarboxylate?
The InChIKey is SBYVSXWAKJZJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO4/c1-3-21-14(19)9-7-12(15(20)22-4-2)18-11-6-8(16)5-10(17)13(9)11/h5-7H,3-4H2,1-2H3.
What are the key properties of diethyl 5,7-dichloroquinoline-2,4-dicarboxylate?
diethyl 5,7-dichloroquinoline-2,4-dicarboxylate has a molecular weight of 342.18 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 5,7-dichloroquinoline-2,4-dicarboxylate is sourced from PubChem (CID 19747565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).