2-(8-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetic acid

C12H13NO3 — CID 84623269

IUPAC2-(8-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetic acid
SMILESCc1cccc2c1NC(=O)CC2CC(=O)O
InChIInChI=1S/C12H13NO3/c1-7-3-2-4-9-8(6-11(15)16)5-10(14)13-12(7)9/h2-4,8H,5-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyLKZIXAYRXQPSKE-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.90
Rot. Bonds2

About 2-(8-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetic acid

2-(8-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetic acid (PubChem CID 84623269) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-(8-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(8-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetic acid
PubChem CID84623269
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name2-(8-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetic acid
SMILESCc1cccc2c1NC(=O)CC2CC(=O)O
InChIInChI=1S/C12H13NO3/c1-7-3-2-4-9-8(6-11(15)16)5-10(14)13-12(7)9/h2-4,8H,5-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyLKZIXAYRXQPSKE-UHFFFAOYSA-N
XLogP1.90
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetic acid?
The IUPAC name of 2-(8-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetic acid (CID 84623269) is 2-(8-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetic acid.
What is the SMILES notation for 2-(8-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetic acid?
The canonical SMILES for 2-(8-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetic acid is Cc1cccc2c1NC(=O)CC2CC(=O)O.
What is the InChIKey of 2-(8-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetic acid?
The InChIKey is LKZIXAYRXQPSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-7-3-2-4-9-8(6-11(15)16)5-10(14)13-12(7)9/h2-4,8H,5-6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-(8-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetic acid?
2-(8-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetic acid has a molecular weight of 219.24 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetic acid is sourced from PubChem (CID 84623269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).