2-methoxy-4-methyl-N-[(Z)-(2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide

C25H31N3O2 — CID 50868270

IUPAC2-methoxy-4-methyl-N-[(Z)-(2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide
SMILESCCCN1c2ccc(/C=N\NC(=O)c3ccc(C)cc3OC)cc2C(C)=CC1(C)C
InChIInChI=1S/C25H31N3O2/c1-7-12-28-22-11-9-19(14-21(22)18(3)15-25(28,4)5)16-26-27-24(29)20-10-8-17(2)13-23(20)30-6/h8-11,13-16H,7,12H2,1-6H3,(H,27,29)/b26-16-
InChIKeyYULCPENEUDRNOZ-QQXSKIMKSA-N
MW405.54 g/mol
LogP5.18
Rot. Bonds6

About 2-methoxy-4-methyl-N-[(Z)-(2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide

2-methoxy-4-methyl-N-[(Z)-(2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide (PubChem CID 50868270) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 2-methoxy-4-methyl-N-[(Z)-(2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-methoxy-4-methyl-N-[(Z)-(2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide
PubChem CID50868270
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name2-methoxy-4-methyl-N-[(Z)-(2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide
SMILESCCCN1c2ccc(/C=N\NC(=O)c3ccc(C)cc3OC)cc2C(C)=CC1(C)C
InChIInChI=1S/C25H31N3O2/c1-7-12-28-22-11-9-19(14-21(22)18(3)15-25(28,4)5)16-26-27-24(29)20-10-8-17(2)13-23(20)30-6/h8-11,13-16H,7,12H2,1-6H3,(H,27,29)/b26-16-
InChIKeyYULCPENEUDRNOZ-QQXSKIMKSA-N
XLogP5.18
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.54
LogP ≤ 55.18
H-Bond Donors ≤ 51
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

2-methoxy-4-methyl-N-[(Z)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzamide
CID 50868728
N-[(E)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-methoxybenzamide
CID 133170849
2-methoxy-4-methyl-N-[(Z)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
CID 50862125
3-bromo-N-[(Z)-(2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide
CID 50868220
3-chloro-N-[(Z)-(2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide
CID 50868196
5-bromo-2-methoxy-N-[(Z)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzamide
CID 50868736
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-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-methoxybenzamide
CID 50866217
2-chloro-N-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-4-methylbenzamide
CID 50869426
N-[(E)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 50866424
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-(2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]acetamide
CID 50868121

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-N-[(Z)-(2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide?
The IUPAC name of 2-methoxy-4-methyl-N-[(Z)-(2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide (CID 50868270) is 2-methoxy-4-methyl-N-[(Z)-(2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide.
What is the SMILES notation for 2-methoxy-4-methyl-N-[(Z)-(2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide?
The canonical SMILES for 2-methoxy-4-methyl-N-[(Z)-(2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide is CCCN1c2ccc(/C=N\NC(=O)c3ccc(C)cc3OC)cc2C(C)=CC1(C)C.
What is the InChIKey of 2-methoxy-4-methyl-N-[(Z)-(2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide?
The InChIKey is YULCPENEUDRNOZ-QQXSKIMKSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-7-12-28-22-11-9-19(14-21(22)18(3)15-25(28,4)5)16-26-27-24(29)20-10-8-17(2)13-23(20)30-6/h8-11,13-16H,7,12H2,1-6H3,(H,27,29)/b26-16-.
What are the key properties of 2-methoxy-4-methyl-N-[(Z)-(2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide?
2-methoxy-4-methyl-N-[(Z)-(2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide has a molecular weight of 405.54 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-N-[(Z)-(2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide is sourced from PubChem (CID 50868270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).