methyl 6,8-dimethoxy-4-oxo-1H-quinoline-2-carboxylate

C13H13NO5 — CID 53419693

IUPACmethyl 6,8-dimethoxy-4-oxo-1H-quinoline-2-carboxylate
SMILESCOC(=O)c1cc(=O)c2cc(OC)cc(OC)c2[nH]1
InChIInChI=1S/C13H13NO5/c1-17-7-4-8-10(15)6-9(13(16)19-3)14-12(8)11(5-7)18-2/h4-6H,1-3H3,(H,14,15)
InChIKeyBJHAJRICDYDEQT-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.33
Rot. Bonds3

About methyl 6,8-dimethoxy-4-oxo-1H-quinoline-2-carboxylate

methyl 6,8-dimethoxy-4-oxo-1H-quinoline-2-carboxylate (PubChem CID 53419693) has the molecular formula C13H13NO5 and a molecular weight of 263.25 g/mol. Its IUPAC name is methyl 6,8-dimethoxy-4-oxo-1H-quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 6,8-dimethoxy-4-oxo-1H-quinoline-2-carboxylate
PubChem CID53419693
Molecular FormulaC13H13NO5
Molecular Weight263.25 g/mol
Exact Mass263.08
IUPAC Namemethyl 6,8-dimethoxy-4-oxo-1H-quinoline-2-carboxylate
SMILESCOC(=O)c1cc(=O)c2cc(OC)cc(OC)c2[nH]1
InChIInChI=1S/C13H13NO5/c1-17-7-4-8-10(15)6-9(13(16)19-3)14-12(8)11(5-7)18-2/h4-6H,1-3H3,(H,14,15)
InChIKeyBJHAJRICDYDEQT-UHFFFAOYSA-N
XLogP1.33
TPSA77.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-3,5-dimethoxybenzamide
CID 2321450
6-Methoxy-2-methylquinolin-4-ol
CID 316987
2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 3,5-dimethoxybenzoate
CID 1346502
8-Methoxy-2-methylquinolin-4-ol
CID 308133
4-Hydroxy-8-methoxy-2-quinolinecarboxylic acid
CID 76230
3-Butyl-8-methoxy-2-methylquinolin-4-ol
CID 1915905
6-methoxy-3-methyl-2-[[3-(oxan-4-ylmethoxy)phenoxy]methyl]-1H-quinolin-4-one
CID 57399711
Methyl 4-hydroxy-8-methoxyquinoline-2-carboxylate
CID 2801536
4-Hydroxy-6-methoxyquinoline-2-carboxylic acid
CID 22017520
Macromomycin B
CID 5748693
4-Hydroxy-6,8-dimethoxyquinoline-3-carboxylic acid
CID 735359
8-Methoxyquinolin-4-ol
CID 243291

Frequently Asked Questions

What is the IUPAC name of methyl 6,8-dimethoxy-4-oxo-1H-quinoline-2-carboxylate?
The IUPAC name of methyl 6,8-dimethoxy-4-oxo-1H-quinoline-2-carboxylate (CID 53419693) is methyl 6,8-dimethoxy-4-oxo-1H-quinoline-2-carboxylate.
What is the SMILES notation for methyl 6,8-dimethoxy-4-oxo-1H-quinoline-2-carboxylate?
The canonical SMILES for methyl 6,8-dimethoxy-4-oxo-1H-quinoline-2-carboxylate is COC(=O)c1cc(=O)c2cc(OC)cc(OC)c2[nH]1.
What is the InChIKey of methyl 6,8-dimethoxy-4-oxo-1H-quinoline-2-carboxylate?
The InChIKey is BJHAJRICDYDEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5/c1-17-7-4-8-10(15)6-9(13(16)19-3)14-12(8)11(5-7)18-2/h4-6H,1-3H3,(H,14,15).
What are the key properties of methyl 6,8-dimethoxy-4-oxo-1H-quinoline-2-carboxylate?
methyl 6,8-dimethoxy-4-oxo-1H-quinoline-2-carboxylate has a molecular weight of 263.25 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6,8-dimethoxy-4-oxo-1H-quinoline-2-carboxylate is sourced from PubChem (CID 53419693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).