2-methoxy-4-methyl-N-[(Z)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzamide

C26H33N3O2 — CID 50868728

IUPAC2-methoxy-4-methyl-N-[(Z)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzamide
SMILESCCCN1c2cc(C)c(/C=N\NC(=O)c3ccc(C)cc3OC)cc2C(C)=CC1(C)C
InChIInChI=1S/C26H33N3O2/c1-8-11-29-23-13-18(3)20(14-22(23)19(4)15-26(29,5)6)16-27-28-25(30)21-10-9-17(2)12-24(21)31-7/h9-10,12-16H,8,11H2,1-7H3,(H,28,30)/b27-16-
InChIKeyRBQDCOABEAOTIP-YUMHPJSZSA-N
MW419.57 g/mol
LogP5.49
Rot. Bonds6

About 2-methoxy-4-methyl-N-[(Z)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzamide

2-methoxy-4-methyl-N-[(Z)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzamide (PubChem CID 50868728) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is 2-methoxy-4-methyl-N-[(Z)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-methoxy-4-methyl-N-[(Z)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzamide
PubChem CID50868728
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC Name2-methoxy-4-methyl-N-[(Z)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzamide
SMILESCCCN1c2cc(C)c(/C=N\NC(=O)c3ccc(C)cc3OC)cc2C(C)=CC1(C)C
InChIInChI=1S/C26H33N3O2/c1-8-11-29-23-13-18(3)20(14-22(23)19(4)15-26(29,5)6)16-27-28-25(30)21-10-9-17(2)12-24(21)31-7/h9-10,12-16H,8,11H2,1-7H3,(H,28,30)/b27-16-
InChIKeyRBQDCOABEAOTIP-YUMHPJSZSA-N
XLogP5.49
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.57
LogP ≤ 55.49
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

5-bromo-2-methoxy-N-[(Z)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzamide
CID 50868736
2-methoxy-4-methyl-N-[(Z)-(2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide
CID 50868270
4-iodo-3-methoxy-N-[(E)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzamide
CID 50868466
3-hydroxy-N-[(Z)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide
CID 50868530
1-(2-methoxyphenyl)-3-[(E)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]urea
CID 50868604
2-chloro-N-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-4-methylbenzamide
CID 50869426
3,5-dibromo-2-hydroxy-N-[(Z)-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide
CID 50869708
2-bromo-N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]benzamide
CID 50866513
4-methyl-N-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]benzamide
CID 50864674
N-[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-methoxy-4-methylbenzamide
CID 50860529
2-bromo-N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide
CID 50869011
2-methoxy-N-[(Z)-(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-methylbenzamide
CID 50863864

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-N-[(Z)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzamide?
The IUPAC name of 2-methoxy-4-methyl-N-[(Z)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzamide (CID 50868728) is 2-methoxy-4-methyl-N-[(Z)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzamide.
What is the SMILES notation for 2-methoxy-4-methyl-N-[(Z)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzamide?
The canonical SMILES for 2-methoxy-4-methyl-N-[(Z)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzamide is CCCN1c2cc(C)c(/C=N\NC(=O)c3ccc(C)cc3OC)cc2C(C)=CC1(C)C.
What is the InChIKey of 2-methoxy-4-methyl-N-[(Z)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzamide?
The InChIKey is RBQDCOABEAOTIP-YUMHPJSZSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-8-11-29-23-13-18(3)20(14-22(23)19(4)15-26(29,5)6)16-27-28-25(30)21-10-9-17(2)12-24(21)31-7/h9-10,12-16H,8,11H2,1-7H3,(H,28,30)/b27-16-.
What are the key properties of 2-methoxy-4-methyl-N-[(Z)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzamide?
2-methoxy-4-methyl-N-[(Z)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzamide has a molecular weight of 419.57 g/mol, XLogP of 5.49, 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)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzamide is sourced from PubChem (CID 50868728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).