dimethyl 8-chloroquinoline-2,4-dicarboxylate

C13H10ClNO4 — CID 118171241

IUPACdimethyl 8-chloroquinoline-2,4-dicarboxylate
SMILESCOC(=O)c1cc(C(=O)OC)c2cccc(Cl)c2n1
InChIInChI=1S/C13H10ClNO4/c1-18-12(16)8-6-10(13(17)19-2)15-11-7(8)4-3-5-9(11)14/h3-6H,1-2H3
InChIKeyGSPAKKXURCWKCI-UHFFFAOYSA-N
MW279.68 g/mol
LogP2.46
Rot. Bonds2

About dimethyl 8-chloroquinoline-2,4-dicarboxylate

dimethyl 8-chloroquinoline-2,4-dicarboxylate (PubChem CID 118171241) has the molecular formula C13H10ClNO4 and a molecular weight of 279.68 g/mol. Its IUPAC name is dimethyl 8-chloroquinoline-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 8-chloroquinoline-2,4-dicarboxylate
PubChem CID118171241
Molecular FormulaC13H10ClNO4
Molecular Weight279.68 g/mol
Exact Mass279.03
IUPAC Namedimethyl 8-chloroquinoline-2,4-dicarboxylate
SMILESCOC(=O)c1cc(C(=O)OC)c2cccc(Cl)c2n1
InChIInChI=1S/C13H10ClNO4/c1-18-12(16)8-6-10(13(17)19-2)15-11-7(8)4-3-5-9(11)14/h3-6H,1-2H3
InChIKeyGSPAKKXURCWKCI-UHFFFAOYSA-N
XLogP2.46
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.68
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 8-chloro-4-methoxyquinoline-2-carboxylate
CID 53419812
methyl 8-bromo-4-chloroquinoline-2-carboxylate
CID 46739191
dimethyl 6-chloro-8-fluoroquinoline-2,4-dicarboxylate
CID 118170889
methyl 8-chloro-4-(2,5-dimethoxyanilino)quinoline-2-carboxylate
CID 53113369
2-carbamoyl-8-chloroquinoline-4-carboxylic acid
CID 118172273
methyl 4,8-dichloroquinoline-3-carboxylate
CID 112703942
methyl 4-chloro-8-propylquinoline-2-carboxylate
CID 55183253
methyl 4-chloro-8-ethoxyquinoline-2-carboxylate
CID 63376560
methyl 2-chloroquinoline-4-carboxylate
CID 5202936
methyl 5,8-dichloro-2-methylquinoline-4-carboxylate
CID 82574673
methyl 4,8-dichloro-7-fluoroquinoline-2-carboxylate
CID 171157588
dimethyl 7-bromoquinoline-2,4-dicarboxylate
CID 67245888

Frequently Asked Questions

What is the IUPAC name of dimethyl 8-chloroquinoline-2,4-dicarboxylate?
The IUPAC name of dimethyl 8-chloroquinoline-2,4-dicarboxylate (CID 118171241) is dimethyl 8-chloroquinoline-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 8-chloroquinoline-2,4-dicarboxylate?
The canonical SMILES for dimethyl 8-chloroquinoline-2,4-dicarboxylate is COC(=O)c1cc(C(=O)OC)c2cccc(Cl)c2n1.
What is the InChIKey of dimethyl 8-chloroquinoline-2,4-dicarboxylate?
The InChIKey is GSPAKKXURCWKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO4/c1-18-12(16)8-6-10(13(17)19-2)15-11-7(8)4-3-5-9(11)14/h3-6H,1-2H3.
What are the key properties of dimethyl 8-chloroquinoline-2,4-dicarboxylate?
dimethyl 8-chloroquinoline-2,4-dicarboxylate has a molecular weight of 279.68 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 8-chloroquinoline-2,4-dicarboxylate is sourced from PubChem (CID 118171241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).