2-[2-oxo-2-(quinolin-8-ylamino)ethoxy]-N-(pyridin-2-ylmethyl)benzamide

C24H20N4O3 — CID 102220795

IUPAC2-[2-oxo-2-(quinolin-8-ylamino)ethoxy]-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(COc1ccccc1C(=O)NCc1ccccn1)Nc1cccc2cccnc12
InChIInChI=1S/C24H20N4O3/c29-22(28-20-11-5-7-17-8-6-14-26-23(17)20)16-31-21-12-2-1-10-19(21)24(30)27-15-18-9-3-4-13-25-18/h1-14H,15-16H2,(H,27,30)(H,28,29)
InChIKeyBBSDUWVSCIODQE-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.58
Rot. Bonds7

About 2-[2-oxo-2-(quinolin-8-ylamino)ethoxy]-N-(pyridin-2-ylmethyl)benzamide

2-[2-oxo-2-(quinolin-8-ylamino)ethoxy]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 102220795) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is 2-[2-oxo-2-(quinolin-8-ylamino)ethoxy]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[2-oxo-2-(quinolin-8-ylamino)ethoxy]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID102220795
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC Name2-[2-oxo-2-(quinolin-8-ylamino)ethoxy]-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(COc1ccccc1C(=O)NCc1ccccn1)Nc1cccc2cccnc12
InChIInChI=1S/C24H20N4O3/c29-22(28-20-11-5-7-17-8-6-14-26-23(17)20)16-31-21-12-2-1-10-19(21)24(30)27-15-18-9-3-4-13-25-18/h1-14H,15-16H2,(H,27,30)(H,28,29)
InChIKeyBBSDUWVSCIODQE-UHFFFAOYSA-N
XLogP3.58
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(quinolin-8-ylamino)ethoxy]-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 2-[2-oxo-2-(quinolin-8-ylamino)ethoxy]-N-(pyridin-2-ylmethyl)benzamide (CID 102220795) is 2-[2-oxo-2-(quinolin-8-ylamino)ethoxy]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[2-oxo-2-(quinolin-8-ylamino)ethoxy]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 2-[2-oxo-2-(quinolin-8-ylamino)ethoxy]-N-(pyridin-2-ylmethyl)benzamide is O=C(COc1ccccc1C(=O)NCc1ccccn1)Nc1cccc2cccnc12.
What is the InChIKey of 2-[2-oxo-2-(quinolin-8-ylamino)ethoxy]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is BBSDUWVSCIODQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c29-22(28-20-11-5-7-17-8-6-14-26-23(17)20)16-31-21-12-2-1-10-19(21)24(30)27-15-18-9-3-4-13-25-18/h1-14H,15-16H2,(H,27,30)(H,28,29).
What are the key properties of 2-[2-oxo-2-(quinolin-8-ylamino)ethoxy]-N-(pyridin-2-ylmethyl)benzamide?
2-[2-oxo-2-(quinolin-8-ylamino)ethoxy]-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 412.45 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(quinolin-8-ylamino)ethoxy]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 102220795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).