5-[(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-hydroxybenzoic acid

C23H26N2O3 — CID 50866768

IUPAC5-[(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-hydroxybenzoic acid
SMILESCCN1c2cc(C)c(/C=N/c3ccc(O)c(C(=O)O)c3)cc2C(C)=CC1(C)C
InChIInChI=1S/C23H26N2O3/c1-6-25-20-9-14(2)16(10-18(20)15(3)12-23(25,4)5)13-24-17-7-8-21(26)19(11-17)22(27)28/h7-13,26H,6H2,1-5H3,(H,27,28)/b24-13+
InChIKeyWVGJTHSTDOZCQG-ZMOGYAJESA-N
MW378.47 g/mol
LogP5.17
Rot. Bonds4

About 5-[(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-hydroxybenzoic acid

5-[(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-hydroxybenzoic acid (PubChem CID 50866768) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 5-[(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-hydroxybenzoic acid
PubChem CID50866768
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name5-[(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-hydroxybenzoic acid
SMILESCCN1c2cc(C)c(/C=N/c3ccc(O)c(C(=O)O)c3)cc2C(C)=CC1(C)C
InChIInChI=1S/C23H26N2O3/c1-6-25-20-9-14(2)16(10-18(20)15(3)12-23(25,4)5)13-24-17-7-8-21(26)19(11-17)22(27)28/h7-13,26H,6H2,1-5H3,(H,27,28)/b24-13+
InChIKeyWVGJTHSTDOZCQG-ZMOGYAJESA-N
XLogP5.17
TPSA73.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.47
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]benzoic acid
CID 50866984
1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine
CID 50866938
N-(4-chlorophenyl)-1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methanimine
CID 50866985
4-[(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylideneamino]benzoic acid
CID 50867552
1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(2-methylphenyl)methanimine
CID 50866646
N-(4-butan-2-ylphenyl)-1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methanimine
CID 50866388
methyl 3-[(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-4-methylbenzoate
CID 50866924
2-methyl-3-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzoic acid
CID 50869023
N-(3-chloro-4-methylphenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methanimine
CID 50867183
3-[(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylideneamino]-4-methylbenzoic acid
CID 50867555
N-(4-fluoro-3-methylphenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50868999
N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-3-phenylpropanamide
CID 50866726

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-hydroxybenzoic acid?
The IUPAC name of 5-[(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-hydroxybenzoic acid (CID 50866768) is 5-[(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-hydroxybenzoic acid is CCN1c2cc(C)c(/C=N/c3ccc(O)c(C(=O)O)c3)cc2C(C)=CC1(C)C.
What is the InChIKey of 5-[(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-hydroxybenzoic acid?
The InChIKey is WVGJTHSTDOZCQG-ZMOGYAJESA-N. The full InChI is InChI=1S/C23H26N2O3/c1-6-25-20-9-14(2)16(10-18(20)15(3)12-23(25,4)5)13-24-17-7-8-21(26)19(11-17)22(27)28/h7-13,26H,6H2,1-5H3,(H,27,28)/b24-13+.
What are the key properties of 5-[(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-hydroxybenzoic acid?
5-[(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-hydroxybenzoic acid has a molecular weight of 378.47 g/mol, XLogP of 5.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-hydroxybenzoic acid is sourced from PubChem (CID 50866768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).