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

C18H15N3O4 — CID 54683809

IUPAC4-hydroxy-N-(3-hydroxy-2-pyridinyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide
SMILESC=CCn1c(=O)c(C(=O)Nc2ncccc2O)c(O)c2ccccc21
InChIInChI=1S/C18H15N3O4/c1-2-10-21-12-7-4-3-6-11(12)15(23)14(18(21)25)17(24)20-16-13(22)8-5-9-19-16/h2-9,22-23H,1,10H2,(H,19,20,24)
InChIKeyYYWXIGJMNGNRJW-UHFFFAOYSA-N
MW337.34 g/mol
LogP2.25
Rot. Bonds4

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

4-hydroxy-N-(3-hydroxy-2-pyridinyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide (PubChem CID 54683809) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is 4-hydroxy-N-(3-hydroxy-2-pyridinyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(3-hydroxy-2-pyridinyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide
PubChem CID54683809
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC Name4-hydroxy-N-(3-hydroxy-2-pyridinyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide
SMILESC=CCn1c(=O)c(C(=O)Nc2ncccc2O)c(O)c2ccccc21
InChIInChI=1S/C18H15N3O4/c1-2-10-21-12-7-4-3-6-11(12)15(23)14(18(21)25)17(24)20-16-13(22)8-5-9-19-16/h2-9,22-23H,1,10H2,(H,19,20,24)
InChIKeyYYWXIGJMNGNRJW-UHFFFAOYSA-N
XLogP2.25
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-hydroxy-2-pyridinyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-N-(3-hydroxy-2-pyridinyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide (CID 54683809) is 4-hydroxy-N-(3-hydroxy-2-pyridinyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(3-hydroxy-2-pyridinyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-(3-hydroxy-2-pyridinyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide is C=CCn1c(=O)c(C(=O)Nc2ncccc2O)c(O)c2ccccc21.
What is the InChIKey of 4-hydroxy-N-(3-hydroxy-2-pyridinyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide?
The InChIKey is YYWXIGJMNGNRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4/c1-2-10-21-12-7-4-3-6-11(12)15(23)14(18(21)25)17(24)20-16-13(22)8-5-9-19-16/h2-9,22-23H,1,10H2,(H,19,20,24).
What are the key properties of 4-hydroxy-N-(3-hydroxy-2-pyridinyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide?
4-hydroxy-N-(3-hydroxy-2-pyridinyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide has a molecular weight of 337.34 g/mol, XLogP of 2.25, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(3-hydroxy-2-pyridinyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide is sourced from PubChem (CID 54683809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).