methyl 6,7-dimethoxyquinoline-4-carboxylate

C13H13NO4 — CID 59756874

IUPACmethyl 6,7-dimethoxyquinoline-4-carboxylate
SMILESCOC(=O)c1ccnc2cc(OC)c(OC)cc12
InChIInChI=1S/C13H13NO4/c1-16-11-6-9-8(13(15)18-3)4-5-14-10(9)7-12(11)17-2/h4-7H,1-3H3
InChIKeyGUNCLERJPFBGKQ-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.04
Rot. Bonds3

About methyl 6,7-dimethoxyquinoline-4-carboxylate

methyl 6,7-dimethoxyquinoline-4-carboxylate (PubChem CID 59756874) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is methyl 6,7-dimethoxyquinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 6,7-dimethoxyquinoline-4-carboxylate
PubChem CID59756874
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Namemethyl 6,7-dimethoxyquinoline-4-carboxylate
SMILESCOC(=O)c1ccnc2cc(OC)c(OC)cc12
InChIInChI=1S/C13H13NO4/c1-16-11-6-9-8(13(15)18-3)4-5-14-10(9)7-12(11)17-2/h4-7H,1-3H3
InChIKeyGUNCLERJPFBGKQ-UHFFFAOYSA-N
XLogP2.04
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl quinoline-4,7-dicarboxylate
CID 100951662
methyl 7-acetylquinoline-4-carboxylate
CID 170539761
methyl 4-chloro-6,7-dimethoxyquinoline-3-carboxylate
CID 102614410
methyl 6-(methylamino)quinoline-4-carboxylate
CID 171107860
methyl 4-bromo-6,7-dimethoxyquinoline-3-carboxylate
CID 102614409
methane;4,6,7-trimethoxyquinoline
CID 157066291
2-(6,7-dimethoxyquinolin-4-yl)acetic acid
CID 11436553
methyl 6-(hydroxymethyl)quinoline-4-carboxylate
CID 170539779
methyl 3-(6,7-dimethoxyquinolin-4-yl)oxybenzoate
CID 71377074
methyl 2-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxybenzoate
CID 175032455
methyl 7-(trifluoromethoxy)quinoline-4-carboxylate
CID 53418982
methyl 6-propylquinoline-4-carboxylate
CID 102941688

Frequently Asked Questions

What is the IUPAC name of methyl 6,7-dimethoxyquinoline-4-carboxylate?
The IUPAC name of methyl 6,7-dimethoxyquinoline-4-carboxylate (CID 59756874) is methyl 6,7-dimethoxyquinoline-4-carboxylate.
What is the SMILES notation for methyl 6,7-dimethoxyquinoline-4-carboxylate?
The canonical SMILES for methyl 6,7-dimethoxyquinoline-4-carboxylate is COC(=O)c1ccnc2cc(OC)c(OC)cc12.
What is the InChIKey of methyl 6,7-dimethoxyquinoline-4-carboxylate?
The InChIKey is GUNCLERJPFBGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-16-11-6-9-8(13(15)18-3)4-5-14-10(9)7-12(11)17-2/h4-7H,1-3H3.
What are the key properties of methyl 6,7-dimethoxyquinoline-4-carboxylate?
methyl 6,7-dimethoxyquinoline-4-carboxylate has a molecular weight of 247.25 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6,7-dimethoxyquinoline-4-carboxylate is sourced from PubChem (CID 59756874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).