2-[[5-[(6-chloroquinolin-8-yl)methylamino]-2-pyridinyl]oxy]ethanol

C17H16ClN3O2 — CID 109379970

IUPAC2-[[5-[(6-chloroquinolin-8-yl)methylamino]-2-pyridinyl]oxy]ethanol
SMILESOCCOc1ccc(NCc2cc(Cl)cc3cccnc23)cn1
InChIInChI=1S/C17H16ClN3O2/c18-14-8-12-2-1-5-19-17(12)13(9-14)10-20-15-3-4-16(21-11-15)23-7-6-22/h1-5,8-9,11,20,22H,6-7,10H2
InChIKeyLSQUQWZLDCUZTN-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.27
Rot. Bonds6

About 2-[[5-[(6-chloroquinolin-8-yl)methylamino]-2-pyridinyl]oxy]ethanol

2-[[5-[(6-chloroquinolin-8-yl)methylamino]-2-pyridinyl]oxy]ethanol (PubChem CID 109379970) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 2-[[5-[(6-chloroquinolin-8-yl)methylamino]-2-pyridinyl]oxy]ethanol.

Molecular Properties

Compound Name2-[[5-[(6-chloroquinolin-8-yl)methylamino]-2-pyridinyl]oxy]ethanol
PubChem CID109379970
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name2-[[5-[(6-chloroquinolin-8-yl)methylamino]-2-pyridinyl]oxy]ethanol
SMILESOCCOc1ccc(NCc2cc(Cl)cc3cccnc23)cn1
InChIInChI=1S/C17H16ClN3O2/c18-14-8-12-2-1-5-19-17(12)13(9-14)10-20-15-3-4-16(21-11-15)23-7-6-22/h1-5,8-9,11,20,22H,6-7,10H2
InChIKeyLSQUQWZLDCUZTN-UHFFFAOYSA-N
XLogP3.27
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(6-chloroquinolin-8-yl)methylamino]-2-pyridinyl]oxy]ethanol?
The IUPAC name of 2-[[5-[(6-chloroquinolin-8-yl)methylamino]-2-pyridinyl]oxy]ethanol (CID 109379970) is 2-[[5-[(6-chloroquinolin-8-yl)methylamino]-2-pyridinyl]oxy]ethanol.
What is the SMILES notation for 2-[[5-[(6-chloroquinolin-8-yl)methylamino]-2-pyridinyl]oxy]ethanol?
The canonical SMILES for 2-[[5-[(6-chloroquinolin-8-yl)methylamino]-2-pyridinyl]oxy]ethanol is OCCOc1ccc(NCc2cc(Cl)cc3cccnc23)cn1.
What is the InChIKey of 2-[[5-[(6-chloroquinolin-8-yl)methylamino]-2-pyridinyl]oxy]ethanol?
The InChIKey is LSQUQWZLDCUZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c18-14-8-12-2-1-5-19-17(12)13(9-14)10-20-15-3-4-16(21-11-15)23-7-6-22/h1-5,8-9,11,20,22H,6-7,10H2.
What are the key properties of 2-[[5-[(6-chloroquinolin-8-yl)methylamino]-2-pyridinyl]oxy]ethanol?
2-[[5-[(6-chloroquinolin-8-yl)methylamino]-2-pyridinyl]oxy]ethanol has a molecular weight of 329.79 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(6-chloroquinolin-8-yl)methylamino]-2-pyridinyl]oxy]ethanol is sourced from PubChem (CID 109379970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).