7-(3-aminoprop-1-enyl)-4-oxo-1H-quinoline-3-carboxylic acid

C13H12N2O3 — CID 169464463

IUPAC7-(3-aminoprop-1-enyl)-4-oxo-1H-quinoline-3-carboxylic acid
SMILESNCC=Cc1ccc2c(=O)c(C(=O)O)c[nH]c2c1
InChIInChI=1S/C13H12N2O3/c14-5-1-2-8-3-4-9-11(6-8)15-7-10(12(9)16)13(17)18/h1-4,6-7H,5,14H2,(H,15,16)(H,17,18)
InChIKeyIUPJZAAWJLKNOY-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.20
Rot. Bonds3

About 7-(3-aminoprop-1-enyl)-4-oxo-1H-quinoline-3-carboxylic acid

7-(3-aminoprop-1-enyl)-4-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 169464463) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 7-(3-aminoprop-1-enyl)-4-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-(3-aminoprop-1-enyl)-4-oxo-1H-quinoline-3-carboxylic acid
PubChem CID169464463
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name7-(3-aminoprop-1-enyl)-4-oxo-1H-quinoline-3-carboxylic acid
SMILESNCC=Cc1ccc2c(=O)c(C(=O)O)c[nH]c2c1
InChIInChI=1S/C13H12N2O3/c14-5-1-2-8-3-4-9-11(6-8)15-7-10(12(9)16)13(17)18/h1-4,6-7H,5,14H2,(H,15,16)(H,17,18)
InChIKeyIUPJZAAWJLKNOY-UHFFFAOYSA-N
XLogP1.20
TPSA96.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(3-aminoprop-1-enyl)-4-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 7-(3-aminoprop-1-enyl)-4-oxo-1H-quinoline-3-carboxylic acid (CID 169464463) is 7-(3-aminoprop-1-enyl)-4-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 7-(3-aminoprop-1-enyl)-4-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 7-(3-aminoprop-1-enyl)-4-oxo-1H-quinoline-3-carboxylic acid is NCC=Cc1ccc2c(=O)c(C(=O)O)c[nH]c2c1.
What is the InChIKey of 7-(3-aminoprop-1-enyl)-4-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is IUPJZAAWJLKNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c14-5-1-2-8-3-4-9-11(6-8)15-7-10(12(9)16)13(17)18/h1-4,6-7H,5,14H2,(H,15,16)(H,17,18).
What are the key properties of 7-(3-aminoprop-1-enyl)-4-oxo-1H-quinoline-3-carboxylic acid?
7-(3-aminoprop-1-enyl)-4-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of 1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-aminoprop-1-enyl)-4-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 169464463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).