2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetic acid

C11H11NO3 — CID 82282952

IUPAC2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetic acid
SMILESO=C(O)Cc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C11H11NO3/c13-10-4-2-8-5-7(6-11(14)15)1-3-9(8)12-10/h1,3,5H,2,4,6H2,(H,12,13)(H,14,15)
InChIKeyTYEWITXXLBKGLA-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.20
Rot. Bonds2

About 2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetic acid

2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetic acid (PubChem CID 82282952) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetic acid.

Molecular Properties

Compound Name2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetic acid
PubChem CID82282952
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetic acid
SMILESO=C(O)Cc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C11H11NO3/c13-10-4-2-8-5-7(6-11(14)15)1-3-9(8)12-10/h1,3,5H,2,4,6H2,(H,12,13)(H,14,15)
InChIKeyTYEWITXXLBKGLA-UHFFFAOYSA-N
XLogP1.20
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetic acid?
The IUPAC name of 2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetic acid (CID 82282952) is 2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetic acid.
What is the SMILES notation for 2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetic acid?
The canonical SMILES for 2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetic acid is O=C(O)Cc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetic acid?
The InChIKey is TYEWITXXLBKGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c13-10-4-2-8-5-7(6-11(14)15)1-3-9(8)12-10/h1,3,5H,2,4,6H2,(H,12,13)(H,14,15).
What are the key properties of 2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetic acid?
2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetic acid has a molecular weight of 205.21 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetic acid is sourced from PubChem (CID 82282952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).