N-[(Z)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]naphthalene-1-carboxamide

C25H24ClN3O — CID 50864943

IUPACN-[(Z)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]naphthalene-1-carboxamide
SMILESCC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N\NC(=O)c3cccc4ccccc34)cc21
InChIInChI=1S/C25H24ClN3O/c1-16-14-25(2,3)29(4)23-13-22(26)18(12-21(16)23)15-27-28-24(30)20-11-7-9-17-8-5-6-10-19(17)20/h5-15H,1-4H3,(H,28,30)/b27-15-
InChIKeyNZEKGKLYVPNAAM-DICXZTSXSA-N
MW417.94 g/mol
LogP5.89
Rot. Bonds3

About N-[(Z)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]naphthalene-1-carboxamide

N-[(Z)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]naphthalene-1-carboxamide (PubChem CID 50864943) has the molecular formula C25H24ClN3O and a molecular weight of 417.94 g/mol. Its IUPAC name is N-[(Z)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]naphthalene-1-carboxamide
PubChem CID50864943
Molecular FormulaC25H24ClN3O
Molecular Weight417.94 g/mol
Exact Mass417.16
IUPAC NameN-[(Z)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]naphthalene-1-carboxamide
SMILESCC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N\NC(=O)c3cccc4ccccc34)cc21
InChIInChI=1S/C25H24ClN3O/c1-16-14-25(2,3)29(4)23-13-22(26)18(12-21(16)23)15-27-28-24(30)20-11-7-9-17-8-5-6-10-19(17)20/h5-15H,1-4H3,(H,28,30)/b27-15-
InChIKeyNZEKGKLYVPNAAM-DICXZTSXSA-N
XLogP5.89
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.94
LogP ≤ 55.89
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'}

Analyze N-[(Z)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]naphthalene-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]naphthalene-1-carboxamide
CID 50868835
N-[(E)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-2-methoxybenzamide
CID 133170243
N-[(E)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 50864873
N-[(Z)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 133170270
2-bromo-N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide
CID 50869011
2-hydroxy-N-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]benzamide
CID 133170034
N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-2-pyrrol-1-ylbenzamide
CID 50868872
N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide
CID 50868948
N-[(E)-(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 50866834
3-hydroxy-N-[(E)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]benzamide
CID 50864727
N-[(E)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 50865170
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]acetamide
CID 50864905

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]naphthalene-1-carboxamide?
The IUPAC name of N-[(Z)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]naphthalene-1-carboxamide (CID 50864943) is N-[(Z)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(Z)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]naphthalene-1-carboxamide?
The canonical SMILES for N-[(Z)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]naphthalene-1-carboxamide is CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N\NC(=O)c3cccc4ccccc34)cc21.
What is the InChIKey of N-[(Z)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]naphthalene-1-carboxamide?
The InChIKey is NZEKGKLYVPNAAM-DICXZTSXSA-N. The full InChI is InChI=1S/C25H24ClN3O/c1-16-14-25(2,3)29(4)23-13-22(26)18(12-21(16)23)15-27-28-24(30)20-11-7-9-17-8-5-6-10-19(17)20/h5-15H,1-4H3,(H,28,30)/b27-15-.
What are the key properties of N-[(Z)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]naphthalene-1-carboxamide?
N-[(Z)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]naphthalene-1-carboxamide has a molecular weight of 417.94 g/mol, XLogP of 5.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]naphthalene-1-carboxamide is sourced from PubChem (CID 50864943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).