N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide

C26H27N3O — CID 50866258

IUPACN-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide
SMILESCCN1c2ccc(/C=N\NC(=O)c3ccc4ccccc4c3)cc2C(C)=CC1(C)C
InChIInChI=1S/C26H27N3O/c1-5-29-24-13-10-19(14-23(24)18(2)16-26(29,3)4)17-27-28-25(30)22-12-11-20-8-6-7-9-21(20)15-22/h6-17H,5H2,1-4H3,(H,28,30)/b27-17-
InChIKeyUTMVUOWWIHLOFT-PKAZHMFMSA-N
MW397.52 g/mol
LogP5.63
Rot. Bonds4

About N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide

N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide (PubChem CID 50866258) has the molecular formula C26H27N3O and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide
PubChem CID50866258
Molecular FormulaC26H27N3O
Molecular Weight397.52 g/mol
Exact Mass397.22
IUPAC NameN-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide
SMILESCCN1c2ccc(/C=N\NC(=O)c3ccc4ccccc4c3)cc2C(C)=CC1(C)C
InChIInChI=1S/C26H27N3O/c1-5-29-24-13-10-19(14-23(24)18(2)16-26(29,3)4)17-27-28-25(30)22-12-11-20-8-6-7-9-21(20)15-22/h6-17H,5H2,1-4H3,(H,28,30)/b27-17-
InChIKeyUTMVUOWWIHLOFT-PKAZHMFMSA-N
XLogP5.63
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 55.63
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

N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-methoxybenzamide
CID 50866217
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
N-[(E)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-methoxybenzamide
CID 133170849
N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-fluorobenzamide
CID 50866202
2-bromo-N-[(E)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]benzamide
CID 133170826
N-[(E)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 50866069
3-bromo-N-[(Z)-(2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide
CID 50868220
N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide
CID 50868948
3-chloro-N-[(Z)-(2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide
CID 50868196
3-hydroxy-N-[(E)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]benzamide
CID 50864186
N-[(E)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 50866424

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide?
The IUPAC name of N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide (CID 50866258) is N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide?
The canonical SMILES for N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide is CCN1c2ccc(/C=N\NC(=O)c3ccc4ccccc4c3)cc2C(C)=CC1(C)C.
What is the InChIKey of N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide?
The InChIKey is UTMVUOWWIHLOFT-PKAZHMFMSA-N. The full InChI is InChI=1S/C26H27N3O/c1-5-29-24-13-10-19(14-23(24)18(2)16-26(29,3)4)17-27-28-25(30)22-12-11-20-8-6-7-9-21(20)15-22/h6-17H,5H2,1-4H3,(H,28,30)/b27-17-.
What are the key properties of N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide?
N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide has a molecular weight of 397.52 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide is sourced from PubChem (CID 50866258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).