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

C14H15NO3 — CID 84631831

IUPAC2-(4,6,8-trimethyl-2-oxo-1H-quinolin-3-yl)acetic acid
SMILESCc1cc(C)c2[nH]c(=O)c(CC(=O)O)c(C)c2c1
InChIInChI=1S/C14H15NO3/c1-7-4-8(2)13-10(5-7)9(3)11(6-12(16)17)14(18)15-13/h4-5H,6H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyJIFTTZRMUQPYBD-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.08
Rot. Bonds2

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

2-(4,6,8-trimethyl-2-oxo-1H-quinolin-3-yl)acetic acid (PubChem CID 84631831) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(4,6,8-trimethyl-2-oxo-1H-quinolin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4,6,8-trimethyl-2-oxo-1H-quinolin-3-yl)acetic acid
PubChem CID84631831
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name2-(4,6,8-trimethyl-2-oxo-1H-quinolin-3-yl)acetic acid
SMILESCc1cc(C)c2[nH]c(=O)c(CC(=O)O)c(C)c2c1
InChIInChI=1S/C14H15NO3/c1-7-4-8(2)13-10(5-7)9(3)11(6-12(16)17)14(18)15-13/h4-5H,6H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyJIFTTZRMUQPYBD-UHFFFAOYSA-N
XLogP2.08
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6,8-trimethyl-2-oxo-1H-quinolin-3-yl)acetic acid?
The IUPAC name of 2-(4,6,8-trimethyl-2-oxo-1H-quinolin-3-yl)acetic acid (CID 84631831) is 2-(4,6,8-trimethyl-2-oxo-1H-quinolin-3-yl)acetic acid.
What is the SMILES notation for 2-(4,6,8-trimethyl-2-oxo-1H-quinolin-3-yl)acetic acid?
The canonical SMILES for 2-(4,6,8-trimethyl-2-oxo-1H-quinolin-3-yl)acetic acid is Cc1cc(C)c2[nH]c(=O)c(CC(=O)O)c(C)c2c1.
What is the InChIKey of 2-(4,6,8-trimethyl-2-oxo-1H-quinolin-3-yl)acetic acid?
The InChIKey is JIFTTZRMUQPYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-7-4-8(2)13-10(5-7)9(3)11(6-12(16)17)14(18)15-13/h4-5H,6H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 2-(4,6,8-trimethyl-2-oxo-1H-quinolin-3-yl)acetic acid?
2-(4,6,8-trimethyl-2-oxo-1H-quinolin-3-yl)acetic acid has a molecular weight of 245.28 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6,8-trimethyl-2-oxo-1H-quinolin-3-yl)acetic acid is sourced from PubChem (CID 84631831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).