2-[N-(2-hydroxyethyl)-4-[(1E,3E)-4-quinolin-2-ylbuta-1,3-dienyl]anilino]ethanol

C23H24N2O2 — CID 141489653

IUPAC2-[N-(2-hydroxyethyl)-4-[(1E,3E)-4-quinolin-2-ylbuta-1,3-dienyl]anilino]ethanol
SMILESOCCN(CCO)c1ccc(/C=C/C=C/c2ccc3ccccc3n2)cc1
InChIInChI=1S/C23H24N2O2/c26-17-15-25(16-18-27)22-13-9-19(10-14-22)5-1-3-7-21-12-11-20-6-2-4-8-23(20)24-21/h1-14,26-27H,15-18H2/b5-1+,7-3+
InChIKeyDSHIBXBGGVASKO-JGOQQPJWSA-N
MW360.46 g/mol
LogP3.75
Rot. Bonds8

About 2-[N-(2-hydroxyethyl)-4-[(1E,3E)-4-quinolin-2-ylbuta-1,3-dienyl]anilino]ethanol

2-[N-(2-hydroxyethyl)-4-[(1E,3E)-4-quinolin-2-ylbuta-1,3-dienyl]anilino]ethanol (PubChem CID 141489653) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[N-(2-hydroxyethyl)-4-[(1E,3E)-4-quinolin-2-ylbuta-1,3-dienyl]anilino]ethanol.

Molecular Properties

Compound Name2-[N-(2-hydroxyethyl)-4-[(1E,3E)-4-quinolin-2-ylbuta-1,3-dienyl]anilino]ethanol
PubChem CID141489653
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name2-[N-(2-hydroxyethyl)-4-[(1E,3E)-4-quinolin-2-ylbuta-1,3-dienyl]anilino]ethanol
SMILESOCCN(CCO)c1ccc(/C=C/C=C/c2ccc3ccccc3n2)cc1
InChIInChI=1S/C23H24N2O2/c26-17-15-25(16-18-27)22-13-9-19(10-14-22)5-1-3-7-21-12-11-20-6-2-4-8-23(20)24-21/h1-14,26-27H,15-18H2/b5-1+,7-3+
InChIKeyDSHIBXBGGVASKO-JGOQQPJWSA-N
XLogP3.75
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-[N-(2-hydroxyethyl)-4-[(1E,3E)-4-quinolin-2-ylbuta-1,3-dienyl]anilino]ethanol with MolForge

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Related Compounds

N,N-dimethyl-4-[(E)-2-quinolin-2-ylethenyl]aniline;hydrochloride
CID 6508810
2-(4-pyridin-2-ylbuta-1,3-dienyl)quinoline
CID 91436844
2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline
CID 5377682
2-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N-propylanilino]ethanol
CID 121278374
2-[N-(2-hydroxyethyl)anilino]ethanol;hydrobromide
CID 21388011
2-[N-methyl-4-[(E)-2-quinolin-2-ylethenyl]anilino]propanoic acid
CID 20709092
2-[(E)-2-phenylethenyl]quinoline;sulfuric acid
CID 75366284
4-(2-benzo[f]quinolin-3-ylethenyl)phenol
CID 137229369
4-[(E)-2-benzo[f]quinolin-3-ylethenyl]phenol
CID 137229184
4-[(1E,3E)-4-[2-[(1E,3E)-4-[4-(dimethylamino)phenyl]buta-1,3-dienyl]quinolin-4-yl]buta-1,3-dienyl]-N,N-dimethylaniline
CID 20724554
trimethyl-[4-(2-quinolin-2-ylethenyl)phenyl]azanium
CID 2750433
methyl (2E,4E)-5-quinolin-2-ylpenta-2,4-dienoate
CID 11139204

Frequently Asked Questions

What is the IUPAC name of 2-[N-(2-hydroxyethyl)-4-[(1E,3E)-4-quinolin-2-ylbuta-1,3-dienyl]anilino]ethanol?
The IUPAC name of 2-[N-(2-hydroxyethyl)-4-[(1E,3E)-4-quinolin-2-ylbuta-1,3-dienyl]anilino]ethanol (CID 141489653) is 2-[N-(2-hydroxyethyl)-4-[(1E,3E)-4-quinolin-2-ylbuta-1,3-dienyl]anilino]ethanol.
What is the SMILES notation for 2-[N-(2-hydroxyethyl)-4-[(1E,3E)-4-quinolin-2-ylbuta-1,3-dienyl]anilino]ethanol?
The canonical SMILES for 2-[N-(2-hydroxyethyl)-4-[(1E,3E)-4-quinolin-2-ylbuta-1,3-dienyl]anilino]ethanol is OCCN(CCO)c1ccc(/C=C/C=C/c2ccc3ccccc3n2)cc1.
What is the InChIKey of 2-[N-(2-hydroxyethyl)-4-[(1E,3E)-4-quinolin-2-ylbuta-1,3-dienyl]anilino]ethanol?
The InChIKey is DSHIBXBGGVASKO-JGOQQPJWSA-N. The full InChI is InChI=1S/C23H24N2O2/c26-17-15-25(16-18-27)22-13-9-19(10-14-22)5-1-3-7-21-12-11-20-6-2-4-8-23(20)24-21/h1-14,26-27H,15-18H2/b5-1+,7-3+.
What are the key properties of 2-[N-(2-hydroxyethyl)-4-[(1E,3E)-4-quinolin-2-ylbuta-1,3-dienyl]anilino]ethanol?
2-[N-(2-hydroxyethyl)-4-[(1E,3E)-4-quinolin-2-ylbuta-1,3-dienyl]anilino]ethanol has a molecular weight of 360.46 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(2-hydroxyethyl)-4-[(1E,3E)-4-quinolin-2-ylbuta-1,3-dienyl]anilino]ethanol is sourced from PubChem (CID 141489653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).