2,3-dimethoxyquinoline-7-carboxylic acid

C12H11NO4 — CID 67754459

IUPAC2,3-dimethoxyquinoline-7-carboxylic acid
SMILESCOc1cc2ccc(C(=O)O)cc2nc1OC
InChIInChI=1S/C12H11NO4/c1-16-10-6-7-3-4-8(12(14)15)5-9(7)13-11(10)17-2/h3-6H,1-2H3,(H,14,15)
InChIKeyMJIVSGFBOLEYAC-UHFFFAOYSA-N
MW233.22 g/mol
LogP1.95
Rot. Bonds3

About 2,3-dimethoxyquinoline-7-carboxylic acid

2,3-dimethoxyquinoline-7-carboxylic acid (PubChem CID 67754459) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 2,3-dimethoxyquinoline-7-carboxylic acid.

Molecular Properties

Compound Name2,3-dimethoxyquinoline-7-carboxylic acid
PubChem CID67754459
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name2,3-dimethoxyquinoline-7-carboxylic acid
SMILESCOc1cc2ccc(C(=O)O)cc2nc1OC
InChIInChI=1S/C12H11NO4/c1-16-10-6-7-3-4-8(12(14)15)5-9(7)13-11(10)17-2/h3-6H,1-2H3,(H,14,15)
InChIKeyMJIVSGFBOLEYAC-UHFFFAOYSA-N
XLogP1.95
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dimethoxypyridine-3-carboxylic acid
CID 12563086
2-methoxy-3-(propan-2-ylamino)quinoxaline-6-carboxylic acid
CID 138525691
3,4-dimethoxybenzoic acid;methanol
CID 144580050
4,9-dimethoxyphenazine-2,7-dicarboxylic acid
CID 146380937
2,3-dimethoxy-4-(4-methoxyphenyl)quinoline-7-carboxylic acid
CID 67754522
5,6,7-trimethoxyphenanthrene-3-carboxylic acid
CID 174758536
3-hydroxy-4-methoxybenzoic acid
CID 12575
acetic acid;1,3-dimethoxyisoquinoline-7-carboxylic acid
CID 174490545
4-hydroxy-3-methoxybenzoic acid;hydrate
CID 118665847
3-borono-4-methoxybenzoic acid
CID 42614541
cyclopropyl-(3-ethyl-2-methoxyquinolin-7-yl)methanone
CID 59393071
6-methoxy-5-oxocyclohepta-1,3,6-triene-1-carboxylic acid
CID 102239387

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxyquinoline-7-carboxylic acid?
The IUPAC name of 2,3-dimethoxyquinoline-7-carboxylic acid (CID 67754459) is 2,3-dimethoxyquinoline-7-carboxylic acid.
What is the SMILES notation for 2,3-dimethoxyquinoline-7-carboxylic acid?
The canonical SMILES for 2,3-dimethoxyquinoline-7-carboxylic acid is COc1cc2ccc(C(=O)O)cc2nc1OC.
What is the InChIKey of 2,3-dimethoxyquinoline-7-carboxylic acid?
The InChIKey is MJIVSGFBOLEYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-16-10-6-7-3-4-8(12(14)15)5-9(7)13-11(10)17-2/h3-6H,1-2H3,(H,14,15).
What are the key properties of 2,3-dimethoxyquinoline-7-carboxylic acid?
2,3-dimethoxyquinoline-7-carboxylic acid has a molecular weight of 233.22 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxyquinoline-7-carboxylic acid is sourced from PubChem (CID 67754459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).