methyl 3-methyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzoate

C26H32N2O2 — CID 50868984

IUPACmethyl 3-methyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzoate
SMILESCCCN1c2cc(C)c(/C=N/c3ccc(C(=O)OC)cc3C)cc2C(C)=CC1(C)C
InChIInChI=1S/C26H32N2O2/c1-8-11-28-24-13-17(2)21(14-22(24)19(4)15-26(28,5)6)16-27-23-10-9-20(12-18(23)3)25(29)30-7/h9-10,12-16H,8,11H2,1-7H3/b27-16+
InChIKeyWNTBCTGGEVQNKJ-JVWAILMASA-N
MW404.55 g/mol
LogP6.25
Rot. Bonds5

About methyl 3-methyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzoate

methyl 3-methyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzoate (PubChem CID 50868984) has the molecular formula C26H32N2O2 and a molecular weight of 404.55 g/mol. Its IUPAC name is methyl 3-methyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzoate.

Molecular Properties

Compound Namemethyl 3-methyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzoate
PubChem CID50868984
Molecular FormulaC26H32N2O2
Molecular Weight404.55 g/mol
Exact Mass404.25
IUPAC Namemethyl 3-methyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzoate
SMILESCCCN1c2cc(C)c(/C=N/c3ccc(C(=O)OC)cc3C)cc2C(C)=CC1(C)C
InChIInChI=1S/C26H32N2O2/c1-8-11-28-24-13-17(2)21(14-22(24)19(4)15-26(28,5)6)16-27-23-10-9-20(12-18(23)3)25(29)30-7/h9-10,12-16H,8,11H2,1-7H3/b27-16+
InChIKeyWNTBCTGGEVQNKJ-JVWAILMASA-N
XLogP6.25
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.55
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-methyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzoic acid
CID 50868976
methyl 3-[(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-4-methylbenzoate
CID 50866924
N-(2-methoxyphenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50868462
methyl 4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-methylbenzoate
CID 50866348
N-(2-fluorophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50869014
2-methyl-3-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzoic acid
CID 50869023
N-(4-bromo-2-methylphenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine
CID 50870031
N-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylidene]hydroxylamine
CID 50868475
4-iodo-3-methoxy-N-[(E)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzamide
CID 50868466
N-(4-nitrophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50868677
4-[(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-methylbenzoic acid
CID 50867263
2,2,4,7-tetramethyl-1-propylquinoline-6-carbaldehyde
CID 50868619

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzoate?
The IUPAC name of methyl 3-methyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzoate (CID 50868984) is methyl 3-methyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzoate.
What is the SMILES notation for methyl 3-methyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzoate?
The canonical SMILES for methyl 3-methyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzoate is CCCN1c2cc(C)c(/C=N/c3ccc(C(=O)OC)cc3C)cc2C(C)=CC1(C)C.
What is the InChIKey of methyl 3-methyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzoate?
The InChIKey is WNTBCTGGEVQNKJ-JVWAILMASA-N. The full InChI is InChI=1S/C26H32N2O2/c1-8-11-28-24-13-17(2)21(14-22(24)19(4)15-26(28,5)6)16-27-23-10-9-20(12-18(23)3)25(29)30-7/h9-10,12-16H,8,11H2,1-7H3/b27-16+.
What are the key properties of methyl 3-methyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzoate?
methyl 3-methyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzoate has a molecular weight of 404.55 g/mol, XLogP of 6.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzoate is sourced from PubChem (CID 50868984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).