4-hydroxy-2-oxo-N-(propan-2-ylideneamino)-1H-quinoline-3-carboxamide

C13H13N3O3 — CID 54678741

IUPAC4-hydroxy-2-oxo-N-(propan-2-ylideneamino)-1H-quinoline-3-carboxamide
SMILESCC(C)=NNC(=O)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C13H13N3O3/c1-7(2)15-16-13(19)10-11(17)8-5-3-4-6-9(8)14-12(10)18/h3-6H,1-2H3,(H,16,19)(H2,14,17,18)
InChIKeyVJHYFWDCBMZLDV-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.36
Rot. Bonds2

About 4-hydroxy-2-oxo-N-(propan-2-ylideneamino)-1H-quinoline-3-carboxamide

4-hydroxy-2-oxo-N-(propan-2-ylideneamino)-1H-quinoline-3-carboxamide (PubChem CID 54678741) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 4-hydroxy-2-oxo-N-(propan-2-ylideneamino)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-oxo-N-(propan-2-ylideneamino)-1H-quinoline-3-carboxamide
PubChem CID54678741
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name4-hydroxy-2-oxo-N-(propan-2-ylideneamino)-1H-quinoline-3-carboxamide
SMILESCC(C)=NNC(=O)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C13H13N3O3/c1-7(2)15-16-13(19)10-11(17)8-5-3-4-6-9(8)14-12(10)18/h3-6H,1-2H3,(H,16,19)(H2,14,17,18)
InChIKeyVJHYFWDCBMZLDV-UHFFFAOYSA-N
XLogP1.36
TPSA94.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-oxo-N-(propan-2-ylideneamino)-1H-quinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-2-oxo-N-(propan-2-ylideneamino)-1H-quinoline-3-carboxamide (CID 54678741) is 4-hydroxy-2-oxo-N-(propan-2-ylideneamino)-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-oxo-N-(propan-2-ylideneamino)-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-oxo-N-(propan-2-ylideneamino)-1H-quinoline-3-carboxamide is CC(C)=NNC(=O)c1c(O)c2ccccc2[nH]c1=O.
What is the InChIKey of 4-hydroxy-2-oxo-N-(propan-2-ylideneamino)-1H-quinoline-3-carboxamide?
The InChIKey is VJHYFWDCBMZLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-7(2)15-16-13(19)10-11(17)8-5-3-4-6-9(8)14-12(10)18/h3-6H,1-2H3,(H,16,19)(H2,14,17,18).
What are the key properties of 4-hydroxy-2-oxo-N-(propan-2-ylideneamino)-1H-quinoline-3-carboxamide?
4-hydroxy-2-oxo-N-(propan-2-ylideneamino)-1H-quinoline-3-carboxamide has a molecular weight of 259.26 g/mol, XLogP of 1.36, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-oxo-N-(propan-2-ylideneamino)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 54678741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).