4-methyl-3-[(2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzoic acid

C24H28N2O2 — CID 50868445

IUPAC4-methyl-3-[(2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzoic acid
SMILESCCCN1c2ccc(/C=N/c3cc(C(=O)O)ccc3C)cc2C(C)=CC1(C)C
InChIInChI=1S/C24H28N2O2/c1-6-11-26-22-10-8-18(12-20(22)17(3)14-24(26,4)5)15-25-21-13-19(23(27)28)9-7-16(21)2/h7-10,12-15H,6,11H2,1-5H3,(H,27,28)/b25-15+
InChIKeyFZGAWSFEWMIIJB-MFKUBSTISA-N
MW376.50 g/mol
LogP5.86
Rot. Bonds5

About 4-methyl-3-[(2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzoic acid

4-methyl-3-[(2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzoic acid (PubChem CID 50868445) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 4-methyl-3-[(2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzoic acid.

Molecular Properties

Compound Name4-methyl-3-[(2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzoic acid
PubChem CID50868445
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name4-methyl-3-[(2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzoic acid
SMILESCCCN1c2ccc(/C=N/c3cc(C(=O)O)ccc3C)cc2C(C)=CC1(C)C
InChIInChI=1S/C24H28N2O2/c1-6-11-26-22-10-8-18(12-20(22)17(3)14-24(26,4)5)15-25-21-13-19(23(27)28)9-7-16(21)2/h7-10,12-15H,6,11H2,1-5H3,(H,27,28)/b25-15+
InChIKeyFZGAWSFEWMIIJB-MFKUBSTISA-N
XLogP5.86
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-[(2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzoic acid
CID 50868517
3-methyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzoic acid
CID 50868976
3-[(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylideneamino]-4-methylbenzoic acid
CID 50867555
N-(2,4-dichlorophenyl)-1-(2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine
CID 50868469
N-(5-chloro-2-methylphenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine
CID 50866316
N-(2-methylsulfanylphenyl)-1-(2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine
CID 50868485
methyl 4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-methylbenzoate
CID 50866348
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-(2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]acetamide
CID 50868121
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
2-methyl-3-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzoic acid
CID 50869023
methyl 3-methyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzoate
CID 50868984

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzoic acid?
The IUPAC name of 4-methyl-3-[(2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzoic acid (CID 50868445) is 4-methyl-3-[(2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzoic acid.
What is the SMILES notation for 4-methyl-3-[(2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzoic acid?
The canonical SMILES for 4-methyl-3-[(2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzoic acid is CCCN1c2ccc(/C=N/c3cc(C(=O)O)ccc3C)cc2C(C)=CC1(C)C.
What is the InChIKey of 4-methyl-3-[(2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzoic acid?
The InChIKey is FZGAWSFEWMIIJB-MFKUBSTISA-N. The full InChI is InChI=1S/C24H28N2O2/c1-6-11-26-22-10-8-18(12-20(22)17(3)14-24(26,4)5)15-25-21-13-19(23(27)28)9-7-16(21)2/h7-10,12-15H,6,11H2,1-5H3,(H,27,28)/b25-15+.
What are the key properties of 4-methyl-3-[(2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzoic acid?
4-methyl-3-[(2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzoic acid has a molecular weight of 376.50 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzoic acid is sourced from PubChem (CID 50868445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).