2-[2-(4-methylpiperazin-1-yl)-4-phenylquinolin-3-yl]ethanol

C22H25N3O — CID 10617666

IUPAC2-[2-(4-methylpiperazin-1-yl)-4-phenylquinolin-3-yl]ethanol
SMILESCN1CCN(c2nc3ccccc3c(-c3ccccc3)c2CCO)CC1
InChIInChI=1S/C22H25N3O/c1-24-12-14-25(15-13-24)22-19(11-16-26)21(17-7-3-2-4-8-17)18-9-5-6-10-20(18)23-22/h2-10,26H,11-16H2,1H3
InChIKeyGQWTVJMIDSRUDL-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.19
Rot. Bonds4

About 2-[2-(4-methylpiperazin-1-yl)-4-phenylquinolin-3-yl]ethanol

2-[2-(4-methylpiperazin-1-yl)-4-phenylquinolin-3-yl]ethanol (PubChem CID 10617666) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[2-(4-methylpiperazin-1-yl)-4-phenylquinolin-3-yl]ethanol.

Molecular Properties

Compound Name2-[2-(4-methylpiperazin-1-yl)-4-phenylquinolin-3-yl]ethanol
PubChem CID10617666
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name2-[2-(4-methylpiperazin-1-yl)-4-phenylquinolin-3-yl]ethanol
SMILESCN1CCN(c2nc3ccccc3c(-c3ccccc3)c2CCO)CC1
InChIInChI=1S/C22H25N3O/c1-24-12-14-25(15-13-24)22-19(11-16-26)21(17-7-3-2-4-8-17)18-9-5-6-10-20(18)23-22/h2-10,26H,11-16H2,1H3
InChIKeyGQWTVJMIDSRUDL-UHFFFAOYSA-N
XLogP3.19
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylpiperazin-1-yl)-4-phenylquinolin-3-yl]ethanol?
The IUPAC name of 2-[2-(4-methylpiperazin-1-yl)-4-phenylquinolin-3-yl]ethanol (CID 10617666) is 2-[2-(4-methylpiperazin-1-yl)-4-phenylquinolin-3-yl]ethanol.
What is the SMILES notation for 2-[2-(4-methylpiperazin-1-yl)-4-phenylquinolin-3-yl]ethanol?
The canonical SMILES for 2-[2-(4-methylpiperazin-1-yl)-4-phenylquinolin-3-yl]ethanol is CN1CCN(c2nc3ccccc3c(-c3ccccc3)c2CCO)CC1.
What is the InChIKey of 2-[2-(4-methylpiperazin-1-yl)-4-phenylquinolin-3-yl]ethanol?
The InChIKey is GQWTVJMIDSRUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-24-12-14-25(15-13-24)22-19(11-16-26)21(17-7-3-2-4-8-17)18-9-5-6-10-20(18)23-22/h2-10,26H,11-16H2,1H3.
What are the key properties of 2-[2-(4-methylpiperazin-1-yl)-4-phenylquinolin-3-yl]ethanol?
2-[2-(4-methylpiperazin-1-yl)-4-phenylquinolin-3-yl]ethanol has a molecular weight of 347.46 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylpiperazin-1-yl)-4-phenylquinolin-3-yl]ethanol is sourced from PubChem (CID 10617666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).