1-[2-(8-chloro-4-methoxyquinolin-2-yl)oxyethyl]azetidin-3-ol

C15H17ClN2O3 — CID 70990307

IUPAC1-[2-(8-chloro-4-methoxyquinolin-2-yl)oxyethyl]azetidin-3-ol
SMILESCOc1cc(OCCN2CC(O)C2)nc2c(Cl)cccc12
InChIInChI=1S/C15H17ClN2O3/c1-20-13-7-14(21-6-5-18-8-10(19)9-18)17-15-11(13)3-2-4-12(15)16/h2-4,7,10,19H,5-6,8-9H2,1H3
InChIKeyLIQNASCVGYTRIQ-UHFFFAOYSA-N
MW308.76 g/mol
LogP1.95
Rot. Bonds5

About 1-[2-(8-chloro-4-methoxyquinolin-2-yl)oxyethyl]azetidin-3-ol

1-[2-(8-chloro-4-methoxyquinolin-2-yl)oxyethyl]azetidin-3-ol (PubChem CID 70990307) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.76 g/mol. Its IUPAC name is 1-[2-(8-chloro-4-methoxyquinolin-2-yl)oxyethyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[2-(8-chloro-4-methoxyquinolin-2-yl)oxyethyl]azetidin-3-ol
PubChem CID70990307
Molecular FormulaC15H17ClN2O3
Molecular Weight308.76 g/mol
Exact Mass308.09
IUPAC Name1-[2-(8-chloro-4-methoxyquinolin-2-yl)oxyethyl]azetidin-3-ol
SMILESCOc1cc(OCCN2CC(O)C2)nc2c(Cl)cccc12
InChIInChI=1S/C15H17ClN2O3/c1-20-13-7-14(21-6-5-18-8-10(19)9-18)17-15-11(13)3-2-4-12(15)16/h2-4,7,10,19H,5-6,8-9H2,1H3
InChIKeyLIQNASCVGYTRIQ-UHFFFAOYSA-N
XLogP1.95
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(8-chloro-4-methoxyquinolin-2-yl)oxyethyl]azetidin-3-ol?
The IUPAC name of 1-[2-(8-chloro-4-methoxyquinolin-2-yl)oxyethyl]azetidin-3-ol (CID 70990307) is 1-[2-(8-chloro-4-methoxyquinolin-2-yl)oxyethyl]azetidin-3-ol.
What is the SMILES notation for 1-[2-(8-chloro-4-methoxyquinolin-2-yl)oxyethyl]azetidin-3-ol?
The canonical SMILES for 1-[2-(8-chloro-4-methoxyquinolin-2-yl)oxyethyl]azetidin-3-ol is COc1cc(OCCN2CC(O)C2)nc2c(Cl)cccc12.
What is the InChIKey of 1-[2-(8-chloro-4-methoxyquinolin-2-yl)oxyethyl]azetidin-3-ol?
The InChIKey is LIQNASCVGYTRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-20-13-7-14(21-6-5-18-8-10(19)9-18)17-15-11(13)3-2-4-12(15)16/h2-4,7,10,19H,5-6,8-9H2,1H3.
What are the key properties of 1-[2-(8-chloro-4-methoxyquinolin-2-yl)oxyethyl]azetidin-3-ol?
1-[2-(8-chloro-4-methoxyquinolin-2-yl)oxyethyl]azetidin-3-ol has a molecular weight of 308.76 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(8-chloro-4-methoxyquinolin-2-yl)oxyethyl]azetidin-3-ol is sourced from PubChem (CID 70990307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).