4-hydroxy-2-oxo-N-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C13H16N2O3 — CID 54684650

IUPAC4-hydroxy-2-oxo-N-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESC=CCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2
InChIInChI=1S/C13H16N2O3/c1-2-7-14-12(17)10-11(16)8-5-3-4-6-9(8)15-13(10)18/h2H,1,3-7H2,(H,14,17)(H2,15,16,18)
InChIKeyMXAWFYAVRBKIJT-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.88
Rot. Bonds3

About 4-hydroxy-2-oxo-N-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

4-hydroxy-2-oxo-N-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 54684650) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 4-hydroxy-2-oxo-N-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-oxo-N-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID54684650
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name4-hydroxy-2-oxo-N-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESC=CCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2
InChIInChI=1S/C13H16N2O3/c1-2-7-14-12(17)10-11(16)8-5-3-4-6-9(8)15-13(10)18/h2H,1,3-7H2,(H,14,17)(H2,15,16,18)
InChIKeyMXAWFYAVRBKIJT-UHFFFAOYSA-N
XLogP0.88
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-oxo-N-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-2-oxo-N-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 54684650) is 4-hydroxy-2-oxo-N-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-oxo-N-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-oxo-N-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is C=CCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2.
What is the InChIKey of 4-hydroxy-2-oxo-N-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is MXAWFYAVRBKIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-2-7-14-12(17)10-11(16)8-5-3-4-6-9(8)15-13(10)18/h2H,1,3-7H2,(H,14,17)(H2,15,16,18).
What are the key properties of 4-hydroxy-2-oxo-N-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
4-hydroxy-2-oxo-N-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 248.28 g/mol, XLogP of 0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-oxo-N-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 54684650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).