7-methyl-2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylic acid

C14H15NO3 — CID 84631846

IUPAC7-methyl-2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylic acid
SMILESCc1ccc2c(C(C)C)c(C(=O)O)c(=O)[nH]c2c1
InChIInChI=1S/C14H15NO3/c1-7(2)11-9-5-4-8(3)6-10(9)15-13(16)12(11)14(17)18/h4-7H,1-3H3,(H,15,16)(H,17,18)
InChIKeyXIFJKECMKPAABR-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.66
Rot. Bonds2

About 7-methyl-2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylic acid

7-methyl-2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylic acid (PubChem CID 84631846) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 7-methyl-2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-methyl-2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylic acid
PubChem CID84631846
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name7-methyl-2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylic acid
SMILESCc1ccc2c(C(C)C)c(C(=O)O)c(=O)[nH]c2c1
InChIInChI=1S/C14H15NO3/c1-7(2)11-9-5-4-8(3)6-10(9)15-13(16)12(11)14(17)18/h4-7H,1-3H3,(H,15,16)(H,17,18)
InChIKeyXIFJKECMKPAABR-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-2-(trifluoromethyl)-1H-indole-3-carboxylic acid
CID 83488076
8-ethyl-2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylic acid
CID 84637722
ethyl 2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylate
CID 15722478
2-methyl-7-propan-2-yl-9H-carbazole
CID 70868316
3-methyl-5H-phenanthridin-6-one
CID 59877971
1-(2,6-dimethyl-1H-indol-3-yl)ethanone
CID 51342127
3-ethenyl-6-methyl-2-oxo-1H-quinoline-4-carboxylic acid
CID 13445599
6-methyl-2-oxo-4-propan-2-yl-1H-pyridine-3-carboxylic acid
CID 15641805
6-methyl-3-propan-2-yl-1-benzofuran-2-carboxylic acid
CID 21450597
6-methyl-3-(4-methylanilino)-2-oxo-1H-quinoline-4-carboxylic acid
CID 102480399
2-(2,5-dimethylphenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 63613309
3,9-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 59728395

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylic acid?
The IUPAC name of 7-methyl-2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylic acid (CID 84631846) is 7-methyl-2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 7-methyl-2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 7-methyl-2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylic acid is Cc1ccc2c(C(C)C)c(C(=O)O)c(=O)[nH]c2c1.
What is the InChIKey of 7-methyl-2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylic acid?
The InChIKey is XIFJKECMKPAABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-7(2)11-9-5-4-8(3)6-10(9)15-13(16)12(11)14(17)18/h4-7H,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 7-methyl-2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylic acid?
7-methyl-2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 84631846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).