2-(8-chloroquinolin-2-yl)-N-(2-hydroxyethyl)-N-methylacetamide

C14H15ClN2O2 — CID 110490200

IUPAC2-(8-chloroquinolin-2-yl)-N-(2-hydroxyethyl)-N-methylacetamide
SMILESCN(CCO)C(=O)Cc1ccc2cccc(Cl)c2n1
InChIInChI=1S/C14H15ClN2O2/c1-17(7-8-18)13(19)9-11-6-5-10-3-2-4-12(15)14(10)16-11/h2-6,18H,7-9H2,1H3
InChIKeyWUOGTIFNUCZOTI-UHFFFAOYSA-N
MW278.74 g/mol
LogP1.88
Rot. Bonds4

About 2-(8-chloroquinolin-2-yl)-N-(2-hydroxyethyl)-N-methylacetamide

2-(8-chloroquinolin-2-yl)-N-(2-hydroxyethyl)-N-methylacetamide (PubChem CID 110490200) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 2-(8-chloroquinolin-2-yl)-N-(2-hydroxyethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(8-chloroquinolin-2-yl)-N-(2-hydroxyethyl)-N-methylacetamide
PubChem CID110490200
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name2-(8-chloroquinolin-2-yl)-N-(2-hydroxyethyl)-N-methylacetamide
SMILESCN(CCO)C(=O)Cc1ccc2cccc(Cl)c2n1
InChIInChI=1S/C14H15ClN2O2/c1-17(7-8-18)13(19)9-11-6-5-10-3-2-4-12(15)14(10)16-11/h2-6,18H,7-9H2,1H3
InChIKeyWUOGTIFNUCZOTI-UHFFFAOYSA-N
XLogP1.88
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(8-chloroquinolin-2-yl)-N-(2-hydroxyethyl)-N-methylacetamide?
The IUPAC name of 2-(8-chloroquinolin-2-yl)-N-(2-hydroxyethyl)-N-methylacetamide (CID 110490200) is 2-(8-chloroquinolin-2-yl)-N-(2-hydroxyethyl)-N-methylacetamide.
What is the SMILES notation for 2-(8-chloroquinolin-2-yl)-N-(2-hydroxyethyl)-N-methylacetamide?
The canonical SMILES for 2-(8-chloroquinolin-2-yl)-N-(2-hydroxyethyl)-N-methylacetamide is CN(CCO)C(=O)Cc1ccc2cccc(Cl)c2n1.
What is the InChIKey of 2-(8-chloroquinolin-2-yl)-N-(2-hydroxyethyl)-N-methylacetamide?
The InChIKey is WUOGTIFNUCZOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-17(7-8-18)13(19)9-11-6-5-10-3-2-4-12(15)14(10)16-11/h2-6,18H,7-9H2,1H3.
What are the key properties of 2-(8-chloroquinolin-2-yl)-N-(2-hydroxyethyl)-N-methylacetamide?
2-(8-chloroquinolin-2-yl)-N-(2-hydroxyethyl)-N-methylacetamide has a molecular weight of 278.74 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloroquinolin-2-yl)-N-(2-hydroxyethyl)-N-methylacetamide is sourced from PubChem (CID 110490200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).