(1S)-1-[5-(2-methylquinolin-8-yl)oxy-2-pyridinyl]ethanol

C17H16N2O2 — CID 83111455

IUPAC(1S)-1-[5-(2-methylquinolin-8-yl)oxy-2-pyridinyl]ethanol
SMILESCc1ccc2cccc(Oc3ccc([C@H](C)O)nc3)c2n1
InChIInChI=1S/C17H16N2O2/c1-11-6-7-13-4-3-5-16(17(13)19-11)21-14-8-9-15(12(2)20)18-10-14/h3-10,12,20H,1-2H3/t12-/m0/s1
InChIKeyOGKCLSUIBFHJBA-LBPRGKRZSA-N
MW280.33 g/mol
LogP3.78
Rot. Bonds3

About (1S)-1-[5-(2-methylquinolin-8-yl)oxy-2-pyridinyl]ethanol

(1S)-1-[5-(2-methylquinolin-8-yl)oxy-2-pyridinyl]ethanol (PubChem CID 83111455) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is (1S)-1-[5-(2-methylquinolin-8-yl)oxy-2-pyridinyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-(2-methylquinolin-8-yl)oxy-2-pyridinyl]ethanol
PubChem CID83111455
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name(1S)-1-[5-(2-methylquinolin-8-yl)oxy-2-pyridinyl]ethanol
SMILESCc1ccc2cccc(Oc3ccc([C@H](C)O)nc3)c2n1
InChIInChI=1S/C17H16N2O2/c1-11-6-7-13-4-3-5-16(17(13)19-11)21-14-8-9-15(12(2)20)18-10-14/h3-10,12,20H,1-2H3/t12-/m0/s1
InChIKeyOGKCLSUIBFHJBA-LBPRGKRZSA-N
XLogP3.78
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(2-methylquinolin-8-yl)oxy-2-pyridinyl]ethanol?
The IUPAC name of (1S)-1-[5-(2-methylquinolin-8-yl)oxy-2-pyridinyl]ethanol (CID 83111455) is (1S)-1-[5-(2-methylquinolin-8-yl)oxy-2-pyridinyl]ethanol.
What is the SMILES notation for (1S)-1-[5-(2-methylquinolin-8-yl)oxy-2-pyridinyl]ethanol?
The canonical SMILES for (1S)-1-[5-(2-methylquinolin-8-yl)oxy-2-pyridinyl]ethanol is Cc1ccc2cccc(Oc3ccc([C@H](C)O)nc3)c2n1.
What is the InChIKey of (1S)-1-[5-(2-methylquinolin-8-yl)oxy-2-pyridinyl]ethanol?
The InChIKey is OGKCLSUIBFHJBA-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11-6-7-13-4-3-5-16(17(13)19-11)21-14-8-9-15(12(2)20)18-10-14/h3-10,12,20H,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-[5-(2-methylquinolin-8-yl)oxy-2-pyridinyl]ethanol?
(1S)-1-[5-(2-methylquinolin-8-yl)oxy-2-pyridinyl]ethanol has a molecular weight of 280.33 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(2-methylquinolin-8-yl)oxy-2-pyridinyl]ethanol is sourced from PubChem (CID 83111455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).