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

C11H11NO3 — CID 18332970

IUPAC2-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetic acid
SMILESO=C(O)CC1Cc2ccccc2NC1=O
InChIInChI=1S/C11H11NO3/c13-10(14)6-8-5-7-3-1-2-4-9(7)12-11(8)15/h1-4,8H,5-6H2,(H,12,15)(H,13,14)
InChIKeyVOOBKBWATCPJRK-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.27
Rot. Bonds2

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

2-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetic acid (PubChem CID 18332970) 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-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetic acid
PubChem CID18332970
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name2-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetic acid
SMILESO=C(O)CC1Cc2ccccc2NC1=O
InChIInChI=1S/C11H11NO3/c13-10(14)6-8-5-7-3-1-2-4-9(7)12-11(8)15/h1-4,8H,5-6H2,(H,12,15)(H,13,14)
InChIKeyVOOBKBWATCPJRK-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
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-3-yl)acetic acid?
The IUPAC name of 2-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetic acid (CID 18332970) is 2-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetic acid.
What is the SMILES notation for 2-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetic acid?
The canonical SMILES for 2-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetic acid is O=C(O)CC1Cc2ccccc2NC1=O.
What is the InChIKey of 2-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetic acid?
The InChIKey is VOOBKBWATCPJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c13-10(14)6-8-5-7-3-1-2-4-9(7)12-11(8)15/h1-4,8H,5-6H2,(H,12,15)(H,13,14).
What are the key properties of 2-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetic acid?
2-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetic acid has a molecular weight of 205.21 g/mol, XLogP of 1.27, 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-3-yl)acetic acid is sourced from PubChem (CID 18332970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).