2-[2-hydroxyethyl-[3-[methyl(quinolin-4-yl)amino]propyl]amino]ethanol

C17H25N3O2 — CID 21424760

IUPAC2-[2-hydroxyethyl-[3-[methyl(quinolin-4-yl)amino]propyl]amino]ethanol
SMILESCN(CCCN(CCO)CCO)c1ccnc2ccccc12
InChIInChI=1S/C17H25N3O2/c1-19(9-4-10-20(11-13-21)12-14-22)17-7-8-18-16-6-3-2-5-15(16)17/h2-3,5-8,21-22H,4,9-14H2,1H3
InChIKeyHZGUSRPTMFZLFU-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.35
Rot. Bonds9

About 2-[2-hydroxyethyl-[3-[methyl(quinolin-4-yl)amino]propyl]amino]ethanol

2-[2-hydroxyethyl-[3-[methyl(quinolin-4-yl)amino]propyl]amino]ethanol (PubChem CID 21424760) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-[3-[methyl(quinolin-4-yl)amino]propyl]amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl-[3-[methyl(quinolin-4-yl)amino]propyl]amino]ethanol
PubChem CID21424760
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-[2-hydroxyethyl-[3-[methyl(quinolin-4-yl)amino]propyl]amino]ethanol
SMILESCN(CCCN(CCO)CCO)c1ccnc2ccccc12
InChIInChI=1S/C17H25N3O2/c1-19(9-4-10-20(11-13-21)12-14-22)17-7-8-18-16-6-3-2-5-15(16)17/h2-3,5-8,21-22H,4,9-14H2,1H3
InChIKeyHZGUSRPTMFZLFU-UHFFFAOYSA-N
XLogP1.35
TPSA59.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-[3-[methyl(quinolin-4-yl)amino]propyl]amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl-[3-[methyl(quinolin-4-yl)amino]propyl]amino]ethanol (CID 21424760) is 2-[2-hydroxyethyl-[3-[methyl(quinolin-4-yl)amino]propyl]amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl-[3-[methyl(quinolin-4-yl)amino]propyl]amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl-[3-[methyl(quinolin-4-yl)amino]propyl]amino]ethanol is CN(CCCN(CCO)CCO)c1ccnc2ccccc12.
What is the InChIKey of 2-[2-hydroxyethyl-[3-[methyl(quinolin-4-yl)amino]propyl]amino]ethanol?
The InChIKey is HZGUSRPTMFZLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-19(9-4-10-20(11-13-21)12-14-22)17-7-8-18-16-6-3-2-5-15(16)17/h2-3,5-8,21-22H,4,9-14H2,1H3.
What are the key properties of 2-[2-hydroxyethyl-[3-[methyl(quinolin-4-yl)amino]propyl]amino]ethanol?
2-[2-hydroxyethyl-[3-[methyl(quinolin-4-yl)amino]propyl]amino]ethanol has a molecular weight of 303.41 g/mol, XLogP of 1.35, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-[3-[methyl(quinolin-4-yl)amino]propyl]amino]ethanol is sourced from PubChem (CID 21424760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).