4-oxo-1-propylquinoline-3-carboxylic acid

C13H13NO3 — CID 10751981

IUPAC4-oxo-1-propylquinoline-3-carboxylic acid
SMILESCCCn1cc(C(=O)O)c(=O)c2ccccc21
InChIInChI=1S/C13H13NO3/c1-2-7-14-8-10(13(16)17)12(15)9-5-3-4-6-11(9)14/h3-6,8H,2,7H2,1H3,(H,16,17)
InChIKeyYUXVAHFIXDDTAF-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.11
Rot. Bonds3

About 4-oxo-1-propylquinoline-3-carboxylic acid

4-oxo-1-propylquinoline-3-carboxylic acid (PubChem CID 10751981) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-oxo-1-propylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-1-propylquinoline-3-carboxylic acid
PubChem CID10751981
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name4-oxo-1-propylquinoline-3-carboxylic acid
SMILESCCCn1cc(C(=O)O)c(=O)c2ccccc21
InChIInChI=1S/C13H13NO3/c1-2-7-14-8-10(13(16)17)12(15)9-5-3-4-6-11(9)14/h3-6,8H,2,7H2,1H3,(H,16,17)
InChIKeyYUXVAHFIXDDTAF-UHFFFAOYSA-N
XLogP2.11
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-1-propylquinoline-3-carboxylic acid?
The IUPAC name of 4-oxo-1-propylquinoline-3-carboxylic acid (CID 10751981) is 4-oxo-1-propylquinoline-3-carboxylic acid.
What is the SMILES notation for 4-oxo-1-propylquinoline-3-carboxylic acid?
The canonical SMILES for 4-oxo-1-propylquinoline-3-carboxylic acid is CCCn1cc(C(=O)O)c(=O)c2ccccc21.
What is the InChIKey of 4-oxo-1-propylquinoline-3-carboxylic acid?
The InChIKey is YUXVAHFIXDDTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-2-7-14-8-10(13(16)17)12(15)9-5-3-4-6-11(9)14/h3-6,8H,2,7H2,1H3,(H,16,17).
What are the key properties of 4-oxo-1-propylquinoline-3-carboxylic acid?
4-oxo-1-propylquinoline-3-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1-propylquinoline-3-carboxylic acid is sourced from PubChem (CID 10751981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).