N-[(E)-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-hydroxybenzamide

C21H24FN3O2 — CID 50859317

IUPACN-[(E)-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-hydroxybenzamide
SMILESCC1CC(C)(C)N(C)c2cc(F)c(/C=N/NC(=O)c3cccc(O)c3)cc21
InChIInChI=1S/C21H24FN3O2/c1-13-11-21(2,3)25(4)19-10-18(22)15(9-17(13)19)12-23-24-20(27)14-6-5-7-16(26)8-14/h5-10,12-13,26H,11H2,1-4H3,(H,24,27)/b23-12+
InChIKeyXGJFMIVXSHZXTE-FSJBWODESA-N
MW369.44 g/mol
LogP4.02
Rot. Bonds3

About N-[(E)-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-hydroxybenzamide

N-[(E)-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-hydroxybenzamide (PubChem CID 50859317) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is N-[(E)-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-hydroxybenzamide
PubChem CID50859317
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC NameN-[(E)-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-hydroxybenzamide
SMILESCC1CC(C)(C)N(C)c2cc(F)c(/C=N/NC(=O)c3cccc(O)c3)cc21
InChIInChI=1S/C21H24FN3O2/c1-13-11-21(2,3)25(4)19-10-18(22)15(9-17(13)19)12-23-24-20(27)14-6-5-7-16(26)8-14/h5-10,12-13,26H,11H2,1-4H3,(H,24,27)/b23-12+
InChIKeyXGJFMIVXSHZXTE-FSJBWODESA-N
XLogP4.02
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.02
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'}

Analyze N-[(E)-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-hydroxybenzamide?
The IUPAC name of N-[(E)-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-hydroxybenzamide (CID 50859317) is N-[(E)-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-hydroxybenzamide.
What is the SMILES notation for N-[(E)-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-hydroxybenzamide?
The canonical SMILES for N-[(E)-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-hydroxybenzamide is CC1CC(C)(C)N(C)c2cc(F)c(/C=N/NC(=O)c3cccc(O)c3)cc21.
What is the InChIKey of N-[(E)-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-hydroxybenzamide?
The InChIKey is XGJFMIVXSHZXTE-FSJBWODESA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-13-11-21(2,3)25(4)19-10-18(22)15(9-17(13)19)12-23-24-20(27)14-6-5-7-16(26)8-14/h5-10,12-13,26H,11H2,1-4H3,(H,24,27)/b23-12+.
What are the key properties of N-[(E)-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-hydroxybenzamide?
N-[(E)-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-hydroxybenzamide has a molecular weight of 369.44 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-hydroxybenzamide is sourced from PubChem (CID 50859317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).