2-(6,7-dimethoxyquinolin-4-yl)acetic acid

C13H13NO4 — CID 11436553

IUPAC2-(6,7-dimethoxyquinolin-4-yl)acetic acid
SMILESCOc1cc2nccc(CC(=O)O)c2cc1OC
InChIInChI=1S/C13H13NO4/c1-17-11-6-9-8(5-13(15)16)3-4-14-10(9)7-12(11)18-2/h3-4,6-7H,5H2,1-2H3,(H,15,16)
InChIKeyFRZCFGFRZFAVFK-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.88
Rot. Bonds4

About 2-(6,7-dimethoxyquinolin-4-yl)acetic acid

2-(6,7-dimethoxyquinolin-4-yl)acetic acid (PubChem CID 11436553) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-(6,7-dimethoxyquinolin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(6,7-dimethoxyquinolin-4-yl)acetic acid
PubChem CID11436553
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name2-(6,7-dimethoxyquinolin-4-yl)acetic acid
SMILESCOc1cc2nccc(CC(=O)O)c2cc1OC
InChIInChI=1S/C13H13NO4/c1-17-11-6-9-8(5-13(15)16)3-4-14-10(9)7-12(11)18-2/h3-4,6-7H,5H2,1-2H3,(H,15,16)
InChIKeyFRZCFGFRZFAVFK-UHFFFAOYSA-N
XLogP1.88
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]acetic acid
CID 68956641
methane;4,6,7-trimethoxyquinoline
CID 157066291
methyl 6,7-dimethoxyquinoline-4-carboxylate
CID 59756874
2-[3-(6,7-dimethoxyquinolin-4-yl)propyl-(2-hydroxyethyl)amino]ethanol
CID 21424705
4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid
CID 22132796
1-[4-[(6,7-dimethoxyquinolin-4-yl)methyl]phenyl]-5-phenylpentan-1-one
CID 58065102
(6,7-dimethoxyquinolin-4-yl)phosphane
CID 118485424
N-[6-[(6,7-dimethoxyquinolin-4-yl)methyl]naphthalen-2-yl]benzamide
CID 59813544
2-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
CID 67304323
1-(6,7-dimethoxyquinolin-4-yl)piperidine-4-carboxylic acid
CID 155125461
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methoxybenzoic acid
CID 23078521

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethoxyquinolin-4-yl)acetic acid?
The IUPAC name of 2-(6,7-dimethoxyquinolin-4-yl)acetic acid (CID 11436553) is 2-(6,7-dimethoxyquinolin-4-yl)acetic acid.
What is the SMILES notation for 2-(6,7-dimethoxyquinolin-4-yl)acetic acid?
The canonical SMILES for 2-(6,7-dimethoxyquinolin-4-yl)acetic acid is COc1cc2nccc(CC(=O)O)c2cc1OC.
What is the InChIKey of 2-(6,7-dimethoxyquinolin-4-yl)acetic acid?
The InChIKey is FRZCFGFRZFAVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-17-11-6-9-8(5-13(15)16)3-4-14-10(9)7-12(11)18-2/h3-4,6-7H,5H2,1-2H3,(H,15,16).
What are the key properties of 2-(6,7-dimethoxyquinolin-4-yl)acetic acid?
2-(6,7-dimethoxyquinolin-4-yl)acetic acid has a molecular weight of 247.25 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethoxyquinolin-4-yl)acetic acid is sourced from PubChem (CID 11436553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).