methyl 4-chloro-6,7-dimethoxyquinoline-3-carboxylate

C13H12ClNO4 — CID 102614410

IUPACmethyl 4-chloro-6,7-dimethoxyquinoline-3-carboxylate
SMILESCOC(=O)c1cnc2cc(OC)c(OC)cc2c1Cl
InChIInChI=1S/C13H12ClNO4/c1-17-10-4-7-9(5-11(10)18-2)15-6-8(12(7)14)13(16)19-3/h4-6H,1-3H3
InChIKeyGHGWJBKRLFIYOF-UHFFFAOYSA-N
MW281.70 g/mol
LogP2.69
Rot. Bonds3

About methyl 4-chloro-6,7-dimethoxyquinoline-3-carboxylate

methyl 4-chloro-6,7-dimethoxyquinoline-3-carboxylate (PubChem CID 102614410) has the molecular formula C13H12ClNO4 and a molecular weight of 281.70 g/mol. Its IUPAC name is methyl 4-chloro-6,7-dimethoxyquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-6,7-dimethoxyquinoline-3-carboxylate
PubChem CID102614410
Molecular FormulaC13H12ClNO4
Molecular Weight281.70 g/mol
Exact Mass281.05
IUPAC Namemethyl 4-chloro-6,7-dimethoxyquinoline-3-carboxylate
SMILESCOC(=O)c1cnc2cc(OC)c(OC)cc2c1Cl
InChIInChI=1S/C13H12ClNO4/c1-17-10-4-7-9(5-11(10)18-2)15-6-8(12(7)14)13(16)19-3/h4-6H,1-3H3
InChIKeyGHGWJBKRLFIYOF-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-bromo-6,7-dimethoxyquinoline-3-carboxylate
CID 102614409
ethyl 4-chloro-7-fluoro-6-methoxyquinoline-3-carboxylate
CID 22136427
4-chloro-6-methoxy-7-(3-methoxypropoxy)quinoline-3-carbonyl chloride
CID 155235624
methyl 4-chloro-7-methoxy-3-nitroquinoline-6-carboxylate
CID 169128533
methyl 6,7-dimethoxyquinoline-4-carboxylate
CID 59756874
methyl 4-chloro-5,6,7-trifluoroquinoline-3-carboxylate
CID 102614483
methyl 4,6-dichloro-5,8-dimethoxyquinoline-3-carboxylate
CID 102614449
2-chloro-N-(4-chloro-6,7-dimethoxyquinolin-3-yl)-2-fluoroacetamide
CID 166430945
methyl 4-chloro-5,7-difluoroquinoline-3-carboxylate
CID 102614340
methyl 4-amino-7-chloro-6-methylquinoline-3-carboxylate
CID 102614920
methyl 4,6-dichloro-5-phosphanylpyridine-3-carboxylate
CID 178139043
ethyl 7-chloro-6-methoxy-4-(methylamino)quinoline-3-carboxylate
CID 54773034

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-6,7-dimethoxyquinoline-3-carboxylate?
The IUPAC name of methyl 4-chloro-6,7-dimethoxyquinoline-3-carboxylate (CID 102614410) is methyl 4-chloro-6,7-dimethoxyquinoline-3-carboxylate.
What is the SMILES notation for methyl 4-chloro-6,7-dimethoxyquinoline-3-carboxylate?
The canonical SMILES for methyl 4-chloro-6,7-dimethoxyquinoline-3-carboxylate is COC(=O)c1cnc2cc(OC)c(OC)cc2c1Cl.
What is the InChIKey of methyl 4-chloro-6,7-dimethoxyquinoline-3-carboxylate?
The InChIKey is GHGWJBKRLFIYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO4/c1-17-10-4-7-9(5-11(10)18-2)15-6-8(12(7)14)13(16)19-3/h4-6H,1-3H3.
What are the key properties of methyl 4-chloro-6,7-dimethoxyquinoline-3-carboxylate?
methyl 4-chloro-6,7-dimethoxyquinoline-3-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-3-carboxylate is sourced from PubChem (CID 102614410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).