1,5,8-trimethyl-2-oxo-4-propan-2-ylquinoline-3-carboxylic acid

C16H19NO3 — CID 84641926

IUPAC1,5,8-trimethyl-2-oxo-4-propan-2-ylquinoline-3-carboxylic acid
SMILESCc1ccc(C)c2c1c(C(C)C)c(C(=O)O)c(=O)n2C
InChIInChI=1S/C16H19NO3/c1-8(2)11-12-9(3)6-7-10(4)14(12)17(5)15(18)13(11)16(19)20/h6-8H,1-5H3,(H,19,20)
InChIKeyOVXOKDAAYOHCTB-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.98
Rot. Bonds2

About 1,5,8-trimethyl-2-oxo-4-propan-2-ylquinoline-3-carboxylic acid

1,5,8-trimethyl-2-oxo-4-propan-2-ylquinoline-3-carboxylic acid (PubChem CID 84641926) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 1,5,8-trimethyl-2-oxo-4-propan-2-ylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1,5,8-trimethyl-2-oxo-4-propan-2-ylquinoline-3-carboxylic acid
PubChem CID84641926
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name1,5,8-trimethyl-2-oxo-4-propan-2-ylquinoline-3-carboxylic acid
SMILESCc1ccc(C)c2c1c(C(C)C)c(C(=O)O)c(=O)n2C
InChIInChI=1S/C16H19NO3/c1-8(2)11-12-9(3)6-7-10(4)14(12)17(5)15(18)13(11)16(19)20/h6-8H,1-5H3,(H,19,20)
InChIKeyOVXOKDAAYOHCTB-UHFFFAOYSA-N
XLogP2.98
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetyl-1,4,7-trimethylindole-2-carboxylic acid
CID 84631873
1,3,8-trimethyl-2-oxoquinoline-4-carboxylic acid
CID 165484673
1,4,5,8,9-pentamethylcarbazole
CID 617026
4-methyl-2,6-di(propan-2-yl)benzene-1,3-dicarboxylic acid
CID 152587410
4,7-dimethyl-3-propan-2-yl-1H-indole-2-carboxylic acid
CID 84626604
4-(3,4-dimethylphenyl)-1,6-dimethyl-2-oxopyridine-3-carboxylic acid
CID 82123848
4-ethyl-1,6,8-trimethyl-2-oxoquinoline-3-carboxylic acid
CID 84637695
3-(1-aminoethyl)-1,5,8-trimethylquinolin-2-one
CID 84626184
8-bromo-1,3-dimethyl-2-oxoquinoline-4-carboxylic acid
CID 165474870
4-methyl-1-[2-methyl-5-(propan-2-ylcarbamoyl)phenyl]-2-oxopyridine-3-carboxylic acid
CID 170502608
4-methyl-2-oxo-1-(2,4,6-trimethylphenyl)pyridine-3-carboxylic acid
CID 82123884
4-methyl-3-propan-2-ylbenzoic acid
CID 23530580

Frequently Asked Questions

What is the IUPAC name of 1,5,8-trimethyl-2-oxo-4-propan-2-ylquinoline-3-carboxylic acid?
The IUPAC name of 1,5,8-trimethyl-2-oxo-4-propan-2-ylquinoline-3-carboxylic acid (CID 84641926) is 1,5,8-trimethyl-2-oxo-4-propan-2-ylquinoline-3-carboxylic acid.
What is the SMILES notation for 1,5,8-trimethyl-2-oxo-4-propan-2-ylquinoline-3-carboxylic acid?
The canonical SMILES for 1,5,8-trimethyl-2-oxo-4-propan-2-ylquinoline-3-carboxylic acid is Cc1ccc(C)c2c1c(C(C)C)c(C(=O)O)c(=O)n2C.
What is the InChIKey of 1,5,8-trimethyl-2-oxo-4-propan-2-ylquinoline-3-carboxylic acid?
The InChIKey is OVXOKDAAYOHCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-8(2)11-12-9(3)6-7-10(4)14(12)17(5)15(18)13(11)16(19)20/h6-8H,1-5H3,(H,19,20).
What are the key properties of 1,5,8-trimethyl-2-oxo-4-propan-2-ylquinoline-3-carboxylic acid?
1,5,8-trimethyl-2-oxo-4-propan-2-ylquinoline-3-carboxylic acid has a molecular weight of 273.33 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,8-trimethyl-2-oxo-4-propan-2-ylquinoline-3-carboxylic acid is sourced from PubChem (CID 84641926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).