2-(4-quinolin-2-yl-1,4-diazepan-1-yl)ethanol

C16H21N3O — CID 63309594

IUPAC2-(4-quinolin-2-yl-1,4-diazepan-1-yl)ethanol
SMILESOCCN1CCCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C16H21N3O/c20-13-12-18-8-3-9-19(11-10-18)16-7-6-14-4-1-2-5-15(14)17-16/h1-2,4-7,20H,3,8-13H2
InChIKeySVEOLAAPLQXKIY-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.74
Rot. Bonds3

About 2-(4-quinolin-2-yl-1,4-diazepan-1-yl)ethanol

2-(4-quinolin-2-yl-1,4-diazepan-1-yl)ethanol (PubChem CID 63309594) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(4-quinolin-2-yl-1,4-diazepan-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-quinolin-2-yl-1,4-diazepan-1-yl)ethanol
PubChem CID63309594
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-(4-quinolin-2-yl-1,4-diazepan-1-yl)ethanol
SMILESOCCN1CCCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C16H21N3O/c20-13-12-18-8-3-9-19(11-10-18)16-7-6-14-4-1-2-5-15(14)17-16/h1-2,4-7,20H,3,8-13H2
InChIKeySVEOLAAPLQXKIY-UHFFFAOYSA-N
XLogP1.74
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(6-aminoquinolin-2-yl)piperazin-1-yl]ethanol
CID 43501326
2-[4-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]piperazin-1-yl]-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 4310270
2-piperidin-1-yl-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 567081
2-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperazin-1-yl]ethanol
CID 58547862
2-(4-cyclopentyl-1,4-diazepan-1-yl)quinoline
CID 70742061
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]quinoline
CID 9109583
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]quinoline;hydrobromide
CID 22468029
2-[4-(2-hydrazinylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol
CID 107226843
2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline
CID 7033665
2-[4-[3-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]propyl]piperazin-1-yl]quinoline;dihydrochloride
CID 19915758
2-amino-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 3063580
2-(4-pentan-3-ylpiperazin-1-yl)quinoline
CID 11314275

Frequently Asked Questions

What is the IUPAC name of 2-(4-quinolin-2-yl-1,4-diazepan-1-yl)ethanol?
The IUPAC name of 2-(4-quinolin-2-yl-1,4-diazepan-1-yl)ethanol (CID 63309594) is 2-(4-quinolin-2-yl-1,4-diazepan-1-yl)ethanol.
What is the SMILES notation for 2-(4-quinolin-2-yl-1,4-diazepan-1-yl)ethanol?
The canonical SMILES for 2-(4-quinolin-2-yl-1,4-diazepan-1-yl)ethanol is OCCN1CCCN(c2ccc3ccccc3n2)CC1.
What is the InChIKey of 2-(4-quinolin-2-yl-1,4-diazepan-1-yl)ethanol?
The InChIKey is SVEOLAAPLQXKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c20-13-12-18-8-3-9-19(11-10-18)16-7-6-14-4-1-2-5-15(14)17-16/h1-2,4-7,20H,3,8-13H2.
What are the key properties of 2-(4-quinolin-2-yl-1,4-diazepan-1-yl)ethanol?
2-(4-quinolin-2-yl-1,4-diazepan-1-yl)ethanol has a molecular weight of 271.36 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-quinolin-2-yl-1,4-diazepan-1-yl)ethanol is sourced from PubChem (CID 63309594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).