methyl 7,8-dimethoxyquinoline-3-carboxylate

C13H13NO4 — CID 166736815

IUPACmethyl 7,8-dimethoxyquinoline-3-carboxylate
SMILESCOC(=O)c1cnc2c(OC)c(OC)ccc2c1
InChIInChI=1S/C13H13NO4/c1-16-10-5-4-8-6-9(13(15)18-3)7-14-11(8)12(10)17-2/h4-7H,1-3H3
InChIKeyNXACYIUQCKLAFD-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.04
Rot. Bonds3

About methyl 7,8-dimethoxyquinoline-3-carboxylate

methyl 7,8-dimethoxyquinoline-3-carboxylate (PubChem CID 166736815) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is methyl 7,8-dimethoxyquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 7,8-dimethoxyquinoline-3-carboxylate
PubChem CID166736815
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Namemethyl 7,8-dimethoxyquinoline-3-carboxylate
SMILESCOC(=O)c1cnc2c(OC)c(OC)ccc2c1
InChIInChI=1S/C13H13NO4/c1-16-10-5-4-8-6-9(13(15)18-3)7-14-11(8)12(10)17-2/h4-7H,1-3H3
InChIKeyNXACYIUQCKLAFD-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 8-methylquinoline-3,6-dicarboxylate
CID 164676656
methyl 8-methoxycinnoline-6-carboxylate
CID 156872747
methyl 2-(hydroxymethyl)-8-methoxyquinoline-6-carboxylate
CID 156872967
3-methoxy-5-methoxycarbonylpyridine-2-carboxylic acid
CID 22923874
methyl 5-chloro-6-methoxynaphthalene-2-carboxylate
CID 154003587
[[2-(4-nitrophenyl)acetyl]amino] 7-methoxy-8-pentoxyquinoline-3-carboxylate
CID 57231361
methyl 4-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]benzoate
CID 170457460
methyl 3-methoxy-4-[3-(2-methoxy-4-methoxycarbonylphenoxy)propoxy]benzoate
CID 15167932
methyl 3-methoxyisoquinoline-7-carboxylate
CID 126676671
methyl 6-bromo-8-fluoroquinoline-3-carboxylate
CID 138106125
methyl 6-(dimethylamino)-4-methoxynaphthalene-2-carboxylate
CID 73013849
1,10-phenanthroline-3,8-dicarbonyl chloride
CID 59027322

Frequently Asked Questions

What is the IUPAC name of methyl 7,8-dimethoxyquinoline-3-carboxylate?
The IUPAC name of methyl 7,8-dimethoxyquinoline-3-carboxylate (CID 166736815) is methyl 7,8-dimethoxyquinoline-3-carboxylate.
What is the SMILES notation for methyl 7,8-dimethoxyquinoline-3-carboxylate?
The canonical SMILES for methyl 7,8-dimethoxyquinoline-3-carboxylate is COC(=O)c1cnc2c(OC)c(OC)ccc2c1.
What is the InChIKey of methyl 7,8-dimethoxyquinoline-3-carboxylate?
The InChIKey is NXACYIUQCKLAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-16-10-5-4-8-6-9(13(15)18-3)7-14-11(8)12(10)17-2/h4-7H,1-3H3.
What are the key properties of methyl 7,8-dimethoxyquinoline-3-carboxylate?
methyl 7,8-dimethoxyquinoline-3-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 7,8-dimethoxyquinoline-3-carboxylate is sourced from PubChem (CID 166736815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).