4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide

C19H17N3O3 — CID 54687667

IUPAC4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide
SMILESC=CCn1c(=O)c(C(=O)Nc2ncccc2C)c(O)c2ccccc21
InChIInChI=1S/C19H17N3O3/c1-3-11-22-14-9-5-4-8-13(14)16(23)15(19(22)25)18(24)21-17-12(2)7-6-10-20-17/h3-10,23H,1,11H2,2H3,(H,20,21,24)
InChIKeyVAOYGZCNCIHQPR-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.85
Rot. Bonds4

About 4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide

4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide (PubChem CID 54687667) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide
PubChem CID54687667
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide
SMILESC=CCn1c(=O)c(C(=O)Nc2ncccc2C)c(O)c2ccccc21
InChIInChI=1S/C19H17N3O3/c1-3-11-22-14-9-5-4-8-13(14)16(23)15(19(22)25)18(24)21-17-12(2)7-6-10-20-17/h3-10,23H,1,11H2,2H3,(H,20,21,24)
InChIKeyVAOYGZCNCIHQPR-UHFFFAOYSA-N
XLogP2.85
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-N-(3-methyl-2-pyridinyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide (CID 54687667) is 4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide is C=CCn1c(=O)c(C(=O)Nc2ncccc2C)c(O)c2ccccc21.
What is the InChIKey of 4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide?
The InChIKey is VAOYGZCNCIHQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-3-11-22-14-9-5-4-8-13(14)16(23)15(19(22)25)18(24)21-17-12(2)7-6-10-20-17/h3-10,23H,1,11H2,2H3,(H,20,21,24).
What are the key properties of 4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide?
4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide is sourced from PubChem (CID 54687667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).