8-methyl-4-oxo-6-propan-2-yloxy-1H-quinoline-3-carboxylic acid

C14H15NO4 — CID 82246146

IUPAC8-methyl-4-oxo-6-propan-2-yloxy-1H-quinoline-3-carboxylic acid
SMILESCc1cc(OC(C)C)cc2c(=O)c(C(=O)O)c[nH]c12
InChIInChI=1S/C14H15NO4/c1-7(2)19-9-4-8(3)12-10(5-9)13(16)11(6-15-12)14(17)18/h4-7H,1-3H3,(H,15,16)(H,17,18)
InChIKeyTVLDYZYSOHXNLS-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.32
Rot. Bonds3

About 8-methyl-4-oxo-6-propan-2-yloxy-1H-quinoline-3-carboxylic acid

8-methyl-4-oxo-6-propan-2-yloxy-1H-quinoline-3-carboxylic acid (PubChem CID 82246146) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 8-methyl-4-oxo-6-propan-2-yloxy-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name8-methyl-4-oxo-6-propan-2-yloxy-1H-quinoline-3-carboxylic acid
PubChem CID82246146
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name8-methyl-4-oxo-6-propan-2-yloxy-1H-quinoline-3-carboxylic acid
SMILESCc1cc(OC(C)C)cc2c(=O)c(C(=O)O)c[nH]c12
InChIInChI=1S/C14H15NO4/c1-7(2)19-9-4-8(3)12-10(5-9)13(16)11(6-15-12)14(17)18/h4-7H,1-3H3,(H,15,16)(H,17,18)
InChIKeyTVLDYZYSOHXNLS-UHFFFAOYSA-N
XLogP2.32
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-difluoro-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid
CID 11806724
2-(5-methoxy-7-methyl-1H-indol-3-yl)-2-oxoacetic acid
CID 82495967
5-bromo-6-fluoro-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid
CID 107593505
2-(5-methoxy-7-methyl-1H-indol-3-yl)-2-oxo-N,N-di(propan-2-yl)acetamide
CID 168946827
6,8-difluoro-4-oxo-1H-quinoline-3-carboxylic acid
CID 5107860
2-oxo-2-(5-propan-2-yloxy-1H-indol-3-yl)acetic acid
CID 80502669
phenyl-(5-propan-2-yloxy-1H-indol-3-yl)methanone
CID 80649114
2-chloro-6-methyl-4-propan-2-yloxybenzoic acid
CID 140590140
7-iodo-6-methyl-4-oxo-1H-quinoline-3-carboxylic acid
CID 22054488
6-bromo-8-chloro-4-oxo-1H-quinoline-3-carboxylic acid
CID 43532027
6,7-difluoro-8-hydroxy-4-oxo-1H-quinoline-3-carboxylic acid
CID 14455621
6-(5-fluoro-1-methylindol-3-yl)-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid
CID 166377678

Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-oxo-6-propan-2-yloxy-1H-quinoline-3-carboxylic acid?
The IUPAC name of 8-methyl-4-oxo-6-propan-2-yloxy-1H-quinoline-3-carboxylic acid (CID 82246146) is 8-methyl-4-oxo-6-propan-2-yloxy-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 8-methyl-4-oxo-6-propan-2-yloxy-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 8-methyl-4-oxo-6-propan-2-yloxy-1H-quinoline-3-carboxylic acid is Cc1cc(OC(C)C)cc2c(=O)c(C(=O)O)c[nH]c12.
What is the InChIKey of 8-methyl-4-oxo-6-propan-2-yloxy-1H-quinoline-3-carboxylic acid?
The InChIKey is TVLDYZYSOHXNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-7(2)19-9-4-8(3)12-10(5-9)13(16)11(6-15-12)14(17)18/h4-7H,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 8-methyl-4-oxo-6-propan-2-yloxy-1H-quinoline-3-carboxylic acid?
8-methyl-4-oxo-6-propan-2-yloxy-1H-quinoline-3-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-oxo-6-propan-2-yloxy-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 82246146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).