4-amino-2-oxo-N-propyl-1H-quinoline-3-carboxamide

C13H15N3O2 — CID 11492484

IUPAC4-amino-2-oxo-N-propyl-1H-quinoline-3-carboxamide
SMILESCCCNC(=O)c1c(N)c2ccccc2[nH]c1=O
InChIInChI=1S/C13H15N3O2/c1-2-7-15-12(17)10-11(14)8-5-3-4-6-9(8)16-13(10)18/h3-6H,2,7H2,1H3,(H,15,17)(H3,14,16,18)
InChIKeyBKKKTXBXPJMUED-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.25
Rot. Bonds3

About 4-amino-2-oxo-N-propyl-1H-quinoline-3-carboxamide

4-amino-2-oxo-N-propyl-1H-quinoline-3-carboxamide (PubChem CID 11492484) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-amino-2-oxo-N-propyl-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-2-oxo-N-propyl-1H-quinoline-3-carboxamide
PubChem CID11492484
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-amino-2-oxo-N-propyl-1H-quinoline-3-carboxamide
SMILESCCCNC(=O)c1c(N)c2ccccc2[nH]c1=O
InChIInChI=1S/C13H15N3O2/c1-2-7-15-12(17)10-11(14)8-5-3-4-6-9(8)16-13(10)18/h3-6H,2,7H2,1H3,(H,15,17)(H3,14,16,18)
InChIKeyBKKKTXBXPJMUED-UHFFFAOYSA-N
XLogP1.25
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-oxo-N-propyl-1H-quinoline-3-carboxamide?
The IUPAC name of 4-amino-2-oxo-N-propyl-1H-quinoline-3-carboxamide (CID 11492484) is 4-amino-2-oxo-N-propyl-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-amino-2-oxo-N-propyl-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-amino-2-oxo-N-propyl-1H-quinoline-3-carboxamide is CCCNC(=O)c1c(N)c2ccccc2[nH]c1=O.
What is the InChIKey of 4-amino-2-oxo-N-propyl-1H-quinoline-3-carboxamide?
The InChIKey is BKKKTXBXPJMUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-2-7-15-12(17)10-11(14)8-5-3-4-6-9(8)16-13(10)18/h3-6H,2,7H2,1H3,(H,15,17)(H3,14,16,18).
What are the key properties of 4-amino-2-oxo-N-propyl-1H-quinoline-3-carboxamide?
4-amino-2-oxo-N-propyl-1H-quinoline-3-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-oxo-N-propyl-1H-quinoline-3-carboxamide is sourced from PubChem (CID 11492484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).