2-[N-(2-hydroxyethyl)-4-[(E)-2-quinolin-4-ylethenyl]anilino]ethanol

C21H22N2O2 — CID 53315204

IUPAC2-[N-(2-hydroxyethyl)-4-[(E)-2-quinolin-4-ylethenyl]anilino]ethanol
SMILESOCCN(CCO)c1ccc(/C=C/c2ccnc3ccccc23)cc1
InChIInChI=1S/C21H22N2O2/c24-15-13-23(14-16-25)19-9-6-17(7-10-19)5-8-18-11-12-22-21-4-2-1-3-20(18)21/h1-12,24-25H,13-16H2/b8-5+
InChIKeyMMHBCLFKVFGOOP-VMPITWQZSA-N
MW334.42 g/mol
LogP3.20
Rot. Bonds7

About 2-[N-(2-hydroxyethyl)-4-[(E)-2-quinolin-4-ylethenyl]anilino]ethanol

2-[N-(2-hydroxyethyl)-4-[(E)-2-quinolin-4-ylethenyl]anilino]ethanol (PubChem CID 53315204) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[N-(2-hydroxyethyl)-4-[(E)-2-quinolin-4-ylethenyl]anilino]ethanol.

Molecular Properties

Compound Name2-[N-(2-hydroxyethyl)-4-[(E)-2-quinolin-4-ylethenyl]anilino]ethanol
PubChem CID53315204
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name2-[N-(2-hydroxyethyl)-4-[(E)-2-quinolin-4-ylethenyl]anilino]ethanol
SMILESOCCN(CCO)c1ccc(/C=C/c2ccnc3ccccc23)cc1
InChIInChI=1S/C21H22N2O2/c24-15-13-23(14-16-25)19-9-6-17(7-10-19)5-8-18-11-12-22-21-4-2-1-3-20(18)21/h1-12,24-25H,13-16H2/b8-5+
InChIKeyMMHBCLFKVFGOOP-VMPITWQZSA-N
XLogP3.20
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[N-(2-hydroxyethyl)-4-[(E)-2-quinolin-4-ylethenyl]anilino]ethanol?
The IUPAC name of 2-[N-(2-hydroxyethyl)-4-[(E)-2-quinolin-4-ylethenyl]anilino]ethanol (CID 53315204) is 2-[N-(2-hydroxyethyl)-4-[(E)-2-quinolin-4-ylethenyl]anilino]ethanol.
What is the SMILES notation for 2-[N-(2-hydroxyethyl)-4-[(E)-2-quinolin-4-ylethenyl]anilino]ethanol?
The canonical SMILES for 2-[N-(2-hydroxyethyl)-4-[(E)-2-quinolin-4-ylethenyl]anilino]ethanol is OCCN(CCO)c1ccc(/C=C/c2ccnc3ccccc23)cc1.
What is the InChIKey of 2-[N-(2-hydroxyethyl)-4-[(E)-2-quinolin-4-ylethenyl]anilino]ethanol?
The InChIKey is MMHBCLFKVFGOOP-VMPITWQZSA-N. The full InChI is InChI=1S/C21H22N2O2/c24-15-13-23(14-16-25)19-9-6-17(7-10-19)5-8-18-11-12-22-21-4-2-1-3-20(18)21/h1-12,24-25H,13-16H2/b8-5+.
What are the key properties of 2-[N-(2-hydroxyethyl)-4-[(E)-2-quinolin-4-ylethenyl]anilino]ethanol?
2-[N-(2-hydroxyethyl)-4-[(E)-2-quinolin-4-ylethenyl]anilino]ethanol has a molecular weight of 334.42 g/mol, XLogP of 3.20, 7 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-[(E)-2-quinolin-4-ylethenyl]anilino]ethanol is sourced from PubChem (CID 53315204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).