propyl 6-amino-2-oxo-1H-quinoline-5-carboxylate

C13H14N2O3 — CID 63240270

IUPACpropyl 6-amino-2-oxo-1H-quinoline-5-carboxylate
SMILESCCCOC(=O)c1c(N)ccc2[nH]c(=O)ccc12
InChIInChI=1S/C13H14N2O3/c1-2-7-18-13(17)12-8-3-6-11(16)15-10(8)5-4-9(12)14/h3-6H,2,7,14H2,1H3,(H,15,16)
InChIKeyJBEDNMSWRAHFKC-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.68
Rot. Bonds3

About propyl 6-amino-2-oxo-1H-quinoline-5-carboxylate

propyl 6-amino-2-oxo-1H-quinoline-5-carboxylate (PubChem CID 63240270) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is propyl 6-amino-2-oxo-1H-quinoline-5-carboxylate.

Molecular Properties

Compound Namepropyl 6-amino-2-oxo-1H-quinoline-5-carboxylate
PubChem CID63240270
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Namepropyl 6-amino-2-oxo-1H-quinoline-5-carboxylate
SMILESCCCOC(=O)c1c(N)ccc2[nH]c(=O)ccc12
InChIInChI=1S/C13H14N2O3/c1-2-7-18-13(17)12-8-3-6-11(16)15-10(8)5-4-9(12)14/h3-6H,2,7,14H2,1H3,(H,15,16)
InChIKeyJBEDNMSWRAHFKC-UHFFFAOYSA-N
XLogP1.68
TPSA85.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propyl 6-amino-2-oxo-1H-quinoline-5-carboxylate?
The IUPAC name of propyl 6-amino-2-oxo-1H-quinoline-5-carboxylate (CID 63240270) is propyl 6-amino-2-oxo-1H-quinoline-5-carboxylate.
What is the SMILES notation for propyl 6-amino-2-oxo-1H-quinoline-5-carboxylate?
The canonical SMILES for propyl 6-amino-2-oxo-1H-quinoline-5-carboxylate is CCCOC(=O)c1c(N)ccc2[nH]c(=O)ccc12.
What is the InChIKey of propyl 6-amino-2-oxo-1H-quinoline-5-carboxylate?
The InChIKey is JBEDNMSWRAHFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-2-7-18-13(17)12-8-3-6-11(16)15-10(8)5-4-9(12)14/h3-6H,2,7,14H2,1H3,(H,15,16).
What are the key properties of propyl 6-amino-2-oxo-1H-quinoline-5-carboxylate?
propyl 6-amino-2-oxo-1H-quinoline-5-carboxylate has a molecular weight of 246.27 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 6-amino-2-oxo-1H-quinoline-5-carboxylate is sourced from PubChem (CID 63240270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).