methyl 4-chloro-6,7-dimethoxyquinoline-2-carboxylate

C13H12ClNO4 — CID 63376981

IUPACmethyl 4-chloro-6,7-dimethoxyquinoline-2-carboxylate
SMILESCOC(=O)c1cc(Cl)c2cc(OC)c(OC)cc2n1
InChIInChI=1S/C13H12ClNO4/c1-17-11-4-7-8(14)5-10(13(16)19-3)15-9(7)6-12(11)18-2/h4-6H,1-3H3
InChIKeyZDLLJVUVWKJFKA-UHFFFAOYSA-N
MW281.70 g/mol
LogP2.69
Rot. Bonds3

About methyl 4-chloro-6,7-dimethoxyquinoline-2-carboxylate

methyl 4-chloro-6,7-dimethoxyquinoline-2-carboxylate (PubChem CID 63376981) has the molecular formula C13H12ClNO4 and a molecular weight of 281.70 g/mol. Its IUPAC name is methyl 4-chloro-6,7-dimethoxyquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-6,7-dimethoxyquinoline-2-carboxylate
PubChem CID63376981
Molecular FormulaC13H12ClNO4
Molecular Weight281.70 g/mol
Exact Mass281.05
IUPAC Namemethyl 4-chloro-6,7-dimethoxyquinoline-2-carboxylate
SMILESCOC(=O)c1cc(Cl)c2cc(OC)c(OC)cc2n1
InChIInChI=1S/C13H12ClNO4/c1-17-11-4-7-8(14)5-10(13(16)19-3)15-9(7)6-12(11)18-2/h4-6H,1-3H3
InChIKeyZDLLJVUVWKJFKA-UHFFFAOYSA-N
XLogP2.69
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4,6,7-trichloroquinoline-2-carboxylate
CID 34173870
methyl 4-chloro-6,7-difluoroquinoline-2-carboxylate
CID 63376942
4,6-dichloro-7-methoxyquinoline-2-carboxylic acid
CID 107623316
4-chloro-6,7-dimethoxy-2-methylquinoline
CID 39732475
2-bromo-4-chloro-6,7-dimethoxyquinoline
CID 139329626
4-chloro-6,7-dimethoxyquinolin-2-amine
CID 141028770
methyl 4-[2-(3-chloro-2-methylanilino)-2-oxoethoxy]-6,7-dimethoxyquinoline-2-carboxylate
CID 53113217
methyl 4-[2-(3-chloroanilino)-2-oxoethoxy]-6,7-dimethoxyquinoline-2-carboxylate
CID 53002397
methyl 6-butan-2-yl-4-chloroquinoline-2-carboxylate
CID 63376606
methyl 4-[2-(4-chloro-2-fluoroanilino)-2-oxoethoxy]-6,7-dimethoxyquinoline-2-carboxylate
CID 53113209
4-chloro-2-ethyl-6,7-dimethoxyquinoline
CID 43668679
methyl 8-chloro-4-methoxyquinoline-2-carboxylate
CID 53419812

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-6,7-dimethoxyquinoline-2-carboxylate?
The IUPAC name of methyl 4-chloro-6,7-dimethoxyquinoline-2-carboxylate (CID 63376981) is methyl 4-chloro-6,7-dimethoxyquinoline-2-carboxylate.
What is the SMILES notation for methyl 4-chloro-6,7-dimethoxyquinoline-2-carboxylate?
The canonical SMILES for methyl 4-chloro-6,7-dimethoxyquinoline-2-carboxylate is COC(=O)c1cc(Cl)c2cc(OC)c(OC)cc2n1.
What is the InChIKey of methyl 4-chloro-6,7-dimethoxyquinoline-2-carboxylate?
The InChIKey is ZDLLJVUVWKJFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO4/c1-17-11-4-7-8(14)5-10(13(16)19-3)15-9(7)6-12(11)18-2/h4-6H,1-3H3.
What are the key properties of methyl 4-chloro-6,7-dimethoxyquinoline-2-carboxylate?
methyl 4-chloro-6,7-dimethoxyquinoline-2-carboxylate has a molecular weight of 281.70 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-6,7-dimethoxyquinoline-2-carboxylate is sourced from PubChem (CID 63376981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).