2-(6,8-dimethyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetic acid

C13H15NO3 — CID 84627431

IUPAC2-(6,8-dimethyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetic acid
SMILESCc1cc(C)c2c(c1)C(CC(=O)O)CC(=O)N2
InChIInChI=1S/C13H15NO3/c1-7-3-8(2)13-10(4-7)9(6-12(16)17)5-11(15)14-13/h3-4,9H,5-6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyRTMQKZZFNIVXAG-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.20
Rot. Bonds2

About 2-(6,8-dimethyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetic acid

2-(6,8-dimethyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetic acid (PubChem CID 84627431) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-(6,8-dimethyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(6,8-dimethyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetic acid
PubChem CID84627431
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name2-(6,8-dimethyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetic acid
SMILESCc1cc(C)c2c(c1)C(CC(=O)O)CC(=O)N2
InChIInChI=1S/C13H15NO3/c1-7-3-8(2)13-10(4-7)9(6-12(16)17)5-11(15)14-13/h3-4,9H,5-6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyRTMQKZZFNIVXAG-UHFFFAOYSA-N
XLogP2.20
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dimethyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetic acid?
The IUPAC name of 2-(6,8-dimethyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetic acid (CID 84627431) is 2-(6,8-dimethyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetic acid.
What is the SMILES notation for 2-(6,8-dimethyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetic acid?
The canonical SMILES for 2-(6,8-dimethyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetic acid is Cc1cc(C)c2c(c1)C(CC(=O)O)CC(=O)N2.
What is the InChIKey of 2-(6,8-dimethyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetic acid?
The InChIKey is RTMQKZZFNIVXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-7-3-8(2)13-10(4-7)9(6-12(16)17)5-11(15)14-13/h3-4,9H,5-6H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-(6,8-dimethyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetic acid?
2-(6,8-dimethyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetic acid has a molecular weight of 233.27 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dimethyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetic acid is sourced from PubChem (CID 84627431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).