5-(diethylamino)-2-[(E)-[(4,6,8-trimethylquinolin-2-yl)hydrazinylidene]methyl]phenol

C23H28N4O — CID 135684895

IUPAC5-(diethylamino)-2-[(E)-[(4,6,8-trimethylquinolin-2-yl)hydrazinylidene]methyl]phenol
SMILESCCN(CC)c1ccc(/C=N/Nc2cc(C)c3cc(C)cc(C)c3n2)c(O)c1
InChIInChI=1S/C23H28N4O/c1-6-27(7-2)19-9-8-18(21(28)13-19)14-24-26-22-12-16(4)20-11-15(3)10-17(5)23(20)25-22/h8-14,28H,6-7H2,1-5H3,(H,25,26)/b24-14+
InChIKeyBYGIGDVEMUYDHB-ZVHZXABRSA-N
MW376.50 g/mol
LogP5.16
Rot. Bonds6

About 5-(diethylamino)-2-[(E)-[(4,6,8-trimethylquinolin-2-yl)hydrazinylidene]methyl]phenol

5-(diethylamino)-2-[(E)-[(4,6,8-trimethylquinolin-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 135684895) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 5-(diethylamino)-2-[(E)-[(4,6,8-trimethylquinolin-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name5-(diethylamino)-2-[(E)-[(4,6,8-trimethylquinolin-2-yl)hydrazinylidene]methyl]phenol
PubChem CID135684895
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name5-(diethylamino)-2-[(E)-[(4,6,8-trimethylquinolin-2-yl)hydrazinylidene]methyl]phenol
SMILESCCN(CC)c1ccc(/C=N/Nc2cc(C)c3cc(C)cc(C)c3n2)c(O)c1
InChIInChI=1S/C23H28N4O/c1-6-27(7-2)19-9-8-18(21(28)13-19)14-24-26-22-12-16(4)20-11-15(3)10-17(5)23(20)25-22/h8-14,28H,6-7H2,1-5H3,(H,25,26)/b24-14+
InChIKeyBYGIGDVEMUYDHB-ZVHZXABRSA-N
XLogP5.16
TPSA60.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(diethylamino)-2-[[(4-methylphenyl)hydrazinylidene]methyl]phenol
CID 4646676
5-(diethylamino)-2-[(2,4,6-trimethylphenyl)iminomethyl]phenol
CID 830890
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4,6-dimethylquinolin-2-yl)sulfanylacetamide
CID 3141458
2-[2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-5,6-dimethylpyridine-3,4-dicarbonitrile
CID 137296033
2-[[(4-amino-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-5-(diethylamino)phenol
CID 3318955
N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-4,6,8-trimethylquinolin-2-amine
CID 3926285
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-methylbenzenesulfonamide
CID 136774445
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 2117929
2-[[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-5-(diethylamino)phenol
CID 5113513
2-[(E)-[[amino(sulfanyl)methyl]hydrazinylidene]methyl]-5-(diethylamino)phenol
CID 142921630
1-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-(2,3-dimethylphenyl)thiourea
CID 135745573
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-fluorobenzamide
CID 135642474

Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-[(E)-[(4,6,8-trimethylquinolin-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 5-(diethylamino)-2-[(E)-[(4,6,8-trimethylquinolin-2-yl)hydrazinylidene]methyl]phenol (CID 135684895) is 5-(diethylamino)-2-[(E)-[(4,6,8-trimethylquinolin-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 5-(diethylamino)-2-[(E)-[(4,6,8-trimethylquinolin-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 5-(diethylamino)-2-[(E)-[(4,6,8-trimethylquinolin-2-yl)hydrazinylidene]methyl]phenol is CCN(CC)c1ccc(/C=N/Nc2cc(C)c3cc(C)cc(C)c3n2)c(O)c1.
What is the InChIKey of 5-(diethylamino)-2-[(E)-[(4,6,8-trimethylquinolin-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is BYGIGDVEMUYDHB-ZVHZXABRSA-N. The full InChI is InChI=1S/C23H28N4O/c1-6-27(7-2)19-9-8-18(21(28)13-19)14-24-26-22-12-16(4)20-11-15(3)10-17(5)23(20)25-22/h8-14,28H,6-7H2,1-5H3,(H,25,26)/b24-14+.
What are the key properties of 5-(diethylamino)-2-[(E)-[(4,6,8-trimethylquinolin-2-yl)hydrazinylidene]methyl]phenol?
5-(diethylamino)-2-[(E)-[(4,6,8-trimethylquinolin-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 376.50 g/mol, XLogP of 5.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-[(E)-[(4,6,8-trimethylquinolin-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135684895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).