2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(2-pyridin-2-ylethyl)acetamide

C19H17Cl2N3O2 — CID 2604480

IUPAC2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(2-pyridin-2-ylethyl)acetamide
SMILESCc1ccc2c(Cl)cc(Cl)c(OCC(=O)NCCc3ccccn3)c2n1
InChIInChI=1S/C19H17Cl2N3O2/c1-12-5-6-14-15(20)10-16(21)19(18(14)24-12)26-11-17(25)23-9-7-13-4-2-3-8-22-13/h2-6,8,10H,7,9,11H2,1H3,(H,23,25)
InChIKeyWBAGWFCAAORLSF-UHFFFAOYSA-N
MW390.27 g/mol
LogP3.98
Rot. Bonds6

About 2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(2-pyridin-2-ylethyl)acetamide

2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(2-pyridin-2-ylethyl)acetamide (PubChem CID 2604480) has the molecular formula C19H17Cl2N3O2 and a molecular weight of 390.27 g/mol. Its IUPAC name is 2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(2-pyridin-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(2-pyridin-2-ylethyl)acetamide
PubChem CID2604480
Molecular FormulaC19H17Cl2N3O2
Molecular Weight390.27 g/mol
Exact Mass389.07
IUPAC Name2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(2-pyridin-2-ylethyl)acetamide
SMILESCc1ccc2c(Cl)cc(Cl)c(OCC(=O)NCCc3ccccn3)c2n1
InChIInChI=1S/C19H17Cl2N3O2/c1-12-5-6-14-15(20)10-16(21)19(18(14)24-12)26-11-17(25)23-9-7-13-4-2-3-8-22-13/h2-6,8,10H,7,9,11H2,1H3,(H,23,25)
InChIKeyWBAGWFCAAORLSF-UHFFFAOYSA-N
XLogP3.98
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(2-pyridin-2-ylethyl)acetamide?
The IUPAC name of 2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(2-pyridin-2-ylethyl)acetamide (CID 2604480) is 2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(2-pyridin-2-ylethyl)acetamide.
What is the SMILES notation for 2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(2-pyridin-2-ylethyl)acetamide?
The canonical SMILES for 2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(2-pyridin-2-ylethyl)acetamide is Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)NCCc3ccccn3)c2n1.
What is the InChIKey of 2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(2-pyridin-2-ylethyl)acetamide?
The InChIKey is WBAGWFCAAORLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O2/c1-12-5-6-14-15(20)10-16(21)19(18(14)24-12)26-11-17(25)23-9-7-13-4-2-3-8-22-13/h2-6,8,10H,7,9,11H2,1H3,(H,23,25).
What are the key properties of 2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(2-pyridin-2-ylethyl)acetamide?
2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(2-pyridin-2-ylethyl)acetamide has a molecular weight of 390.27 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(2-pyridin-2-ylethyl)acetamide is sourced from PubChem (CID 2604480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).