2-(2-methoxy-6H-quinolin-2-yl)acetic acid

C12H13NO3 — CID 67948880

IUPAC2-(2-methoxy-6H-quinolin-2-yl)acetic acid
SMILESCOC1(CC(=O)O)C=CC2=CCC=CC2=N1
InChIInChI=1S/C12H13NO3/c1-16-12(8-11(14)15)7-6-9-4-2-3-5-10(9)13-12/h3-7H,2,8H2,1H3,(H,14,15)
InChIKeyGIACYUQLFVYZFJ-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.70
Rot. Bonds3

About 2-(2-methoxy-6H-quinolin-2-yl)acetic acid

2-(2-methoxy-6H-quinolin-2-yl)acetic acid (PubChem CID 67948880) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-(2-methoxy-6H-quinolin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methoxy-6H-quinolin-2-yl)acetic acid
PubChem CID67948880
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name2-(2-methoxy-6H-quinolin-2-yl)acetic acid
SMILESCOC1(CC(=O)O)C=CC2=CCC=CC2=N1
InChIInChI=1S/C12H13NO3/c1-16-12(8-11(14)15)7-6-9-4-2-3-5-10(9)13-12/h3-7H,2,8H2,1H3,(H,14,15)
InChIKeyGIACYUQLFVYZFJ-UHFFFAOYSA-N
XLogP1.70
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-6H-quinolin-2-yl)acetic acid?
The IUPAC name of 2-(2-methoxy-6H-quinolin-2-yl)acetic acid (CID 67948880) is 2-(2-methoxy-6H-quinolin-2-yl)acetic acid.
What is the SMILES notation for 2-(2-methoxy-6H-quinolin-2-yl)acetic acid?
The canonical SMILES for 2-(2-methoxy-6H-quinolin-2-yl)acetic acid is COC1(CC(=O)O)C=CC2=CCC=CC2=N1.
What is the InChIKey of 2-(2-methoxy-6H-quinolin-2-yl)acetic acid?
The InChIKey is GIACYUQLFVYZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-16-12(8-11(14)15)7-6-9-4-2-3-5-10(9)13-12/h3-7H,2,8H2,1H3,(H,14,15).
What are the key properties of 2-(2-methoxy-6H-quinolin-2-yl)acetic acid?
2-(2-methoxy-6H-quinolin-2-yl)acetic acid has a molecular weight of 219.24 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-6H-quinolin-2-yl)acetic acid is sourced from PubChem (CID 67948880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).