7-methoxy-1-methyl-4-oxoquinoline-2-carboxylic acid

C12H11NO4 — CID 82243051

IUPAC7-methoxy-1-methyl-4-oxoquinoline-2-carboxylic acid
SMILESCOc1ccc2c(=O)cc(C(=O)O)n(C)c2c1
InChIInChI=1S/C12H11NO4/c1-13-9-5-7(17-2)3-4-8(9)11(14)6-10(13)12(15)16/h3-6H,1-2H3,(H,15,16)
InChIKeyOZVGERQBFASULR-UHFFFAOYSA-N
MW233.22 g/mol
LogP1.25
Rot. Bonds2

About 7-methoxy-1-methyl-4-oxoquinoline-2-carboxylic acid

7-methoxy-1-methyl-4-oxoquinoline-2-carboxylic acid (PubChem CID 82243051) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 7-methoxy-1-methyl-4-oxoquinoline-2-carboxylic acid.

Molecular Properties

Compound Name7-methoxy-1-methyl-4-oxoquinoline-2-carboxylic acid
PubChem CID82243051
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name7-methoxy-1-methyl-4-oxoquinoline-2-carboxylic acid
SMILESCOc1ccc2c(=O)cc(C(=O)O)n(C)c2c1
InChIInChI=1S/C12H11NO4/c1-13-9-5-7(17-2)3-4-8(9)11(14)6-10(13)12(15)16/h3-6H,1-2H3,(H,15,16)
InChIKeyOZVGERQBFASULR-UHFFFAOYSA-N
XLogP1.25
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-oxo-6-phenoxyquinoline-2-carboxylic acid
CID 82251488
3-acetyl-6-methoxy-1-methylindole-2-carboxylic acid
CID 84632711
2-(4-methoxybenzoyl)-1-methylquinolin-4-one
CID 15733027
3,4,7-trimethoxy-1-methylquinolin-2-one
CID 20676861
3,8-dimethoxy-5-methylphenanthridin-6-one
CID 164597930
4-hydroxy-3,7-dimethoxy-1-methylquinolin-2-one
CID 54737447
2-[1-(2-hydroxyethyl)-7-methoxy-4-oxoquinolin-2-yl]acetic acid
CID 82248592
2-(7-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid
CID 117263069
1-(2,3-dihydroxypropyl)-6-methoxy-4-oxoquinoline-2-carboxylic acid
CID 82251138
7-methoxy-1-methylcinnolin-4-one
CID 89165041
6-methoxy-1,2-dimethylindole-3-carboxamide
CID 71165672
(E)-3-(7-methoxy-1,4-dimethyl-2-oxoquinolin-3-yl)prop-2-enoic acid
CID 84641860

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-methyl-4-oxoquinoline-2-carboxylic acid?
The IUPAC name of 7-methoxy-1-methyl-4-oxoquinoline-2-carboxylic acid (CID 82243051) is 7-methoxy-1-methyl-4-oxoquinoline-2-carboxylic acid.
What is the SMILES notation for 7-methoxy-1-methyl-4-oxoquinoline-2-carboxylic acid?
The canonical SMILES for 7-methoxy-1-methyl-4-oxoquinoline-2-carboxylic acid is COc1ccc2c(=O)cc(C(=O)O)n(C)c2c1.
What is the InChIKey of 7-methoxy-1-methyl-4-oxoquinoline-2-carboxylic acid?
The InChIKey is OZVGERQBFASULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-13-9-5-7(17-2)3-4-8(9)11(14)6-10(13)12(15)16/h3-6H,1-2H3,(H,15,16).
What are the key properties of 7-methoxy-1-methyl-4-oxoquinoline-2-carboxylic acid?
7-methoxy-1-methyl-4-oxoquinoline-2-carboxylic acid has a molecular weight of 233.22 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-methyl-4-oxoquinoline-2-carboxylic acid is sourced from PubChem (CID 82243051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).