3-hydroxy-N-[(E)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]benzamide

C21H23N3O2 — CID 50864186

IUPAC3-hydroxy-N-[(E)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]benzamide
SMILESCC1=CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3cccc(O)c3)cc21
InChIInChI=1S/C21H23N3O2/c1-14-12-21(2,3)24(4)19-9-8-15(10-18(14)19)13-22-23-20(26)16-6-5-7-17(25)11-16/h5-13,25H,1-4H3,(H,23,26)/b22-13+
InChIKeyRNXDFXGWLPZLHY-LPYMAVHISA-N
MW349.43 g/mol
LogP3.79
Rot. Bonds3

About 3-hydroxy-N-[(E)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]benzamide

3-hydroxy-N-[(E)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]benzamide (PubChem CID 50864186) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-hydroxy-N-[(E)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-hydroxy-N-[(E)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]benzamide
PubChem CID50864186
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name3-hydroxy-N-[(E)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]benzamide
SMILESCC1=CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3cccc(O)c3)cc21
InChIInChI=1S/C21H23N3O2/c1-14-12-21(2,3)24(4)19-9-8-15(10-18(14)19)13-22-23-20(26)16-6-5-7-17(25)11-16/h5-13,25H,1-4H3,(H,23,26)/b22-13+
InChIKeyRNXDFXGWLPZLHY-LPYMAVHISA-N
XLogP3.79
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.79
H-Bond Donors ≤ 52
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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Related Compounds

3-hydroxy-N-[(E)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]benzamide
CID 50864727
3-bromo-N-[(Z)-(2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide
CID 50868220
N-[(E)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]pyridine-2-carboxamide
CID 133170764
3-chloro-N-[(Z)-(2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide
CID 50868196
N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-methoxybenzamide
CID 50866217
N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide
CID 50866258
[(Z)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]thiourea
CID 50864127
4-hydroxy-N-[(E)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]benzamide
CID 133169998
N-[(1,2,2,4-tetramethylquinolin-6-yl)methylidene]hydroxylamine
CID 50864201
2-(2-chlorophenoxy)-N-[(Z)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]acetamide
CID 133170800
N-[(E)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]pyridine-4-carboxamide
CID 133170834
N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-4-nitrobenzamide
CID 50866226

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(E)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]benzamide?
The IUPAC name of 3-hydroxy-N-[(E)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]benzamide (CID 50864186) is 3-hydroxy-N-[(E)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]benzamide.
What is the SMILES notation for 3-hydroxy-N-[(E)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]benzamide?
The canonical SMILES for 3-hydroxy-N-[(E)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]benzamide is CC1=CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3cccc(O)c3)cc21.
What is the InChIKey of 3-hydroxy-N-[(E)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]benzamide?
The InChIKey is RNXDFXGWLPZLHY-LPYMAVHISA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14-12-21(2,3)24(4)19-9-8-15(10-18(14)19)13-22-23-20(26)16-6-5-7-17(25)11-16/h5-13,25H,1-4H3,(H,23,26)/b22-13+.
What are the key properties of 3-hydroxy-N-[(E)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]benzamide?
3-hydroxy-N-[(E)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]benzamide has a molecular weight of 349.43 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(E)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]benzamide is sourced from PubChem (CID 50864186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).