2-quinolin-7-ylacetic acid

C11H9NO2 — CID 18675903

IUPAC2-quinolin-7-ylacetic acid
SMILESO=C(O)Cc1ccc2cccnc2c1
InChIInChI=1S/C11H9NO2/c13-11(14)7-8-3-4-9-2-1-5-12-10(9)6-8/h1-6H,7H2,(H,13,14)
InChIKeyGEAYJNMLEZCCHF-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.86
Rot. Bonds2

About 2-quinolin-7-ylacetic acid

2-quinolin-7-ylacetic acid (PubChem CID 18675903) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 2-quinolin-7-ylacetic acid.

Molecular Properties

Compound Name2-quinolin-7-ylacetic acid
PubChem CID18675903
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name2-quinolin-7-ylacetic acid
SMILESO=C(O)Cc1ccc2cccnc2c1
InChIInChI=1S/C11H9NO2/c13-11(14)7-8-3-4-9-2-1-5-12-10(9)6-8/h1-6H,7H2,(H,13,14)
InChIKeyGEAYJNMLEZCCHF-UHFFFAOYSA-N
XLogP1.86
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-quinolin-7-ylacetic acid?
The IUPAC name of 2-quinolin-7-ylacetic acid (CID 18675903) is 2-quinolin-7-ylacetic acid.
What is the SMILES notation for 2-quinolin-7-ylacetic acid?
The canonical SMILES for 2-quinolin-7-ylacetic acid is O=C(O)Cc1ccc2cccnc2c1.
What is the InChIKey of 2-quinolin-7-ylacetic acid?
The InChIKey is GEAYJNMLEZCCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c13-11(14)7-8-3-4-9-2-1-5-12-10(9)6-8/h1-6H,7H2,(H,13,14).
What are the key properties of 2-quinolin-7-ylacetic acid?
2-quinolin-7-ylacetic acid has a molecular weight of 187.20 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-7-ylacetic acid is sourced from PubChem (CID 18675903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).