4-oxo-6-propyl-1H-quinoline-2-carboxylic acid

C13H13NO3 — CID 63375917

IUPAC4-oxo-6-propyl-1H-quinoline-2-carboxylic acid
SMILESCCCc1ccc2[nH]c(C(=O)O)cc(=O)c2c1
InChIInChI=1S/C13H13NO3/c1-2-3-8-4-5-10-9(6-8)12(15)7-11(14-10)13(16)17/h4-7H,2-3H2,1H3,(H,14,15)(H,16,17)
InChIKeyVNNSSHDSZWNDFF-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.18
Rot. Bonds3

About 4-oxo-6-propyl-1H-quinoline-2-carboxylic acid

4-oxo-6-propyl-1H-quinoline-2-carboxylic acid (PubChem CID 63375917) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-oxo-6-propyl-1H-quinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-oxo-6-propyl-1H-quinoline-2-carboxylic acid
PubChem CID63375917
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name4-oxo-6-propyl-1H-quinoline-2-carboxylic acid
SMILESCCCc1ccc2[nH]c(C(=O)O)cc(=O)c2c1
InChIInChI=1S/C13H13NO3/c1-2-3-8-4-5-10-9(6-8)12(15)7-11(14-10)13(16)17/h4-7H,2-3H2,1H3,(H,14,15)(H,16,17)
InChIKeyVNNSSHDSZWNDFF-UHFFFAOYSA-N
XLogP2.18
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-oxo-6-propyl-1H-quinoline-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-oxo-6-propyl-1H-quinoline-2-carboxylic acid?
The IUPAC name of 4-oxo-6-propyl-1H-quinoline-2-carboxylic acid (CID 63375917) is 4-oxo-6-propyl-1H-quinoline-2-carboxylic acid.
What is the SMILES notation for 4-oxo-6-propyl-1H-quinoline-2-carboxylic acid?
The canonical SMILES for 4-oxo-6-propyl-1H-quinoline-2-carboxylic acid is CCCc1ccc2[nH]c(C(=O)O)cc(=O)c2c1.
What is the InChIKey of 4-oxo-6-propyl-1H-quinoline-2-carboxylic acid?
The InChIKey is VNNSSHDSZWNDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-2-3-8-4-5-10-9(6-8)12(15)7-11(14-10)13(16)17/h4-7H,2-3H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 4-oxo-6-propyl-1H-quinoline-2-carboxylic acid?
4-oxo-6-propyl-1H-quinoline-2-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-6-propyl-1H-quinoline-2-carboxylic acid is sourced from PubChem (CID 63375917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).