1-butyl-4-hydroxy-2-oxo-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-3-carboxamide

C20H20N4O3 — CID 54737415

IUPAC1-butyl-4-hydroxy-2-oxo-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-3-carboxamide
SMILESCCCCn1c(=O)c(C(=O)N/N=C/c2cccnc2)c(O)c2ccccc21
InChIInChI=1S/C20H20N4O3/c1-2-3-11-24-16-9-5-4-8-15(16)18(25)17(20(24)27)19(26)23-22-13-14-7-6-10-21-12-14/h4-10,12-13,25H,2-3,11H2,1H3,(H,23,26)/b22-13+
InChIKeyGKHMTNNZQXIJJM-LPYMAVHISA-N
MW364.41 g/mol
LogP2.67
Rot. Bonds6

About 1-butyl-4-hydroxy-2-oxo-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-3-carboxamide

1-butyl-4-hydroxy-2-oxo-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-3-carboxamide (PubChem CID 54737415) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 1-butyl-4-hydroxy-2-oxo-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-3-carboxamide.

Molecular Properties

Compound Name1-butyl-4-hydroxy-2-oxo-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-3-carboxamide
PubChem CID54737415
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name1-butyl-4-hydroxy-2-oxo-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-3-carboxamide
SMILESCCCCn1c(=O)c(C(=O)N/N=C/c2cccnc2)c(O)c2ccccc21
InChIInChI=1S/C20H20N4O3/c1-2-3-11-24-16-9-5-4-8-15(16)18(25)17(20(24)27)19(26)23-22-13-14-7-6-10-21-12-14/h4-10,12-13,25H,2-3,11H2,1H3,(H,23,26)/b22-13+
InChIKeyGKHMTNNZQXIJJM-LPYMAVHISA-N
XLogP2.67
TPSA96.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 1-butyl-4-hydroxy-2-oxo-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-3-carboxamide?
The IUPAC name of 1-butyl-4-hydroxy-2-oxo-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-3-carboxamide (CID 54737415) is 1-butyl-4-hydroxy-2-oxo-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-3-carboxamide.
What is the SMILES notation for 1-butyl-4-hydroxy-2-oxo-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-3-carboxamide?
The canonical SMILES for 1-butyl-4-hydroxy-2-oxo-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-3-carboxamide is CCCCn1c(=O)c(C(=O)N/N=C/c2cccnc2)c(O)c2ccccc21.
What is the InChIKey of 1-butyl-4-hydroxy-2-oxo-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-3-carboxamide?
The InChIKey is GKHMTNNZQXIJJM-LPYMAVHISA-N. The full InChI is InChI=1S/C20H20N4O3/c1-2-3-11-24-16-9-5-4-8-15(16)18(25)17(20(24)27)19(26)23-22-13-14-7-6-10-21-12-14/h4-10,12-13,25H,2-3,11H2,1H3,(H,23,26)/b22-13+.
What are the key properties of 1-butyl-4-hydroxy-2-oxo-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-3-carboxamide?
1-butyl-4-hydroxy-2-oxo-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-3-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-hydroxy-2-oxo-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-3-carboxamide is sourced from PubChem (CID 54737415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).