N-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]aniline

C21H25N3 — CID 50864633

IUPACN-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]aniline
SMILESCC1=CC(C)(C)N(C)c2cc(C)c(/C=N\Nc3ccccc3)cc21
InChIInChI=1S/C21H25N3/c1-15-11-20-19(16(2)13-21(3,4)24(20)5)12-17(15)14-22-23-18-9-7-6-8-10-18/h6-14,23H,1-5H3/b22-14-
InChIKeySEQTXLKXIZPUOX-HMAPJEAMSA-N
MW319.45 g/mol
LogP5.07
Rot. Bonds3

About N-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]aniline

N-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]aniline (PubChem CID 50864633) has the molecular formula C21H25N3 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]aniline
PubChem CID50864633
Molecular FormulaC21H25N3
Molecular Weight319.45 g/mol
Exact Mass319.20
IUPAC NameN-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]aniline
SMILESCC1=CC(C)(C)N(C)c2cc(C)c(/C=N\Nc3ccccc3)cc21
InChIInChI=1S/C21H25N3/c1-15-11-20-19(16(2)13-21(3,4)24(20)5)12-17(15)14-22-23-18-9-7-6-8-10-18/h6-14,23H,1-5H3/b22-14-
InChIKeySEQTXLKXIZPUOX-HMAPJEAMSA-N
XLogP5.07
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.45
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-hydroxy-N-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]-2,2-diphenylacetamide
CID 50864651
4-[(2E)-2-[(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]hydrazinyl]benzoic acid
CID 50864865
N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]aniline
CID 50868938
2-hydroxy-N-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]benzamide
CID 133170034
N-[(Z)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-4-nitroaniline
CID 50864772
3-hydroxy-N-[(E)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]benzamide
CID 50864727
4-methyl-N-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]benzamide
CID 50864674
N-phenyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]aniline
CID 50868952
4-hydroxy-N-[(E)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]benzamide
CID 133169998
N-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]thiophene-2-carboxamide
CID 133170033
N-(2-ethoxyphenyl)-1-(1,2,2,4,7-pentamethylquinolin-6-yl)methanimine
CID 50864699
3,4-dichloro-N-[(E)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]benzamide
CID 133170003

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]aniline?
The IUPAC name of N-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]aniline (CID 50864633) is N-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]aniline.
What is the SMILES notation for N-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]aniline?
The canonical SMILES for N-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]aniline is CC1=CC(C)(C)N(C)c2cc(C)c(/C=N\Nc3ccccc3)cc21.
What is the InChIKey of N-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]aniline?
The InChIKey is SEQTXLKXIZPUOX-HMAPJEAMSA-N. The full InChI is InChI=1S/C21H25N3/c1-15-11-20-19(16(2)13-21(3,4)24(20)5)12-17(15)14-22-23-18-9-7-6-8-10-18/h6-14,23H,1-5H3/b22-14-.
What are the key properties of N-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]aniline?
N-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]aniline has a molecular weight of 319.45 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]aniline is sourced from PubChem (CID 50864633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).