4-hydroxy-N-[(E)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]benzamide

C22H25N3O2 — CID 133169998

IUPAC4-hydroxy-N-[(E)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]benzamide
SMILESCC1=CC(C)(C)N(C)c2cc(C)c(/C=N/NC(=O)c3ccc(O)cc3)cc21
InChIInChI=1S/C22H25N3O2/c1-14-10-20-19(15(2)12-22(3,4)25(20)5)11-17(14)13-23-24-21(27)16-6-8-18(26)9-7-16/h6-13,26H,1-5H3,(H,24,27)/b23-13+
InChIKeyNNYZCOPZKIKRMP-YDZHTSKRSA-N
MW363.46 g/mol
LogP4.10
Rot. Bonds3

About 4-hydroxy-N-[(E)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]benzamide

4-hydroxy-N-[(E)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]benzamide (PubChem CID 133169998) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-hydroxy-N-[(E)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[(E)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]benzamide
PubChem CID133169998
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name4-hydroxy-N-[(E)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]benzamide
SMILESCC1=CC(C)(C)N(C)c2cc(C)c(/C=N/NC(=O)c3ccc(O)cc3)cc21
InChIInChI=1S/C22H25N3O2/c1-14-10-20-19(15(2)12-22(3,4)25(20)5)11-17(14)13-23-24-21(27)16-6-8-18(26)9-7-16/h6-13,26H,1-5H3,(H,24,27)/b23-13+
InChIKeyNNYZCOPZKIKRMP-YDZHTSKRSA-N
XLogP4.10
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.10
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

4-methyl-N-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]benzamide
CID 50864674
3-hydroxy-N-[(E)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]benzamide
CID 50864727
3,4-dichloro-N-[(E)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]benzamide
CID 133170003
2-hydroxy-N-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]benzamide
CID 133170034
N-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]thiophene-2-carboxamide
CID 133170033
N-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-4-hydroxybenzamide
CID 50869212
2-hydroxy-N-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]-2,2-diphenylacetamide
CID 50864651
4-chloro-N-[(E)-(2,2,4,7-tetramethyl-1-propan-2-ylquinolin-6-yl)methylideneamino]benzamide
CID 133170142
4-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]benzamide
CID 50866734
5-chloro-N-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 50864660
3-hydroxy-N-[(E)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]benzamide
CID 50864186
N-[(Z)-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 50865573

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(E)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]benzamide?
The IUPAC name of 4-hydroxy-N-[(E)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]benzamide (CID 133169998) is 4-hydroxy-N-[(E)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-hydroxy-N-[(E)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]benzamide?
The canonical SMILES for 4-hydroxy-N-[(E)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]benzamide is CC1=CC(C)(C)N(C)c2cc(C)c(/C=N/NC(=O)c3ccc(O)cc3)cc21.
What is the InChIKey of 4-hydroxy-N-[(E)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]benzamide?
The InChIKey is NNYZCOPZKIKRMP-YDZHTSKRSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-14-10-20-19(15(2)12-22(3,4)25(20)5)11-17(14)13-23-24-21(27)16-6-8-18(26)9-7-16/h6-13,26H,1-5H3,(H,24,27)/b23-13+.
What are the key properties of 4-hydroxy-N-[(E)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]benzamide?
4-hydroxy-N-[(E)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]benzamide has a molecular weight of 363.46 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(E)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]benzamide is sourced from PubChem (CID 133169998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).