2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(pyridin-3-ylmethyl)acetamide

C17H16BrN3O2 — CID 22576582

IUPAC2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(CN1C(=O)CCc2cc(Br)ccc21)NCc1cccnc1
InChIInChI=1S/C17H16BrN3O2/c18-14-4-5-15-13(8-14)3-6-17(23)21(15)11-16(22)20-10-12-2-1-7-19-9-12/h1-2,4-5,7-9H,3,6,10-11H2,(H,20,22)
InChIKeyFNCVRISTCURXFD-UHFFFAOYSA-N
MW374.24 g/mol
LogP2.44
Rot. Bonds4

About 2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(pyridin-3-ylmethyl)acetamide

2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 22576582) has the molecular formula C17H16BrN3O2 and a molecular weight of 374.24 g/mol. Its IUPAC name is 2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID22576582
Molecular FormulaC17H16BrN3O2
Molecular Weight374.24 g/mol
Exact Mass373.04
IUPAC Name2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(CN1C(=O)CCc2cc(Br)ccc21)NCc1cccnc1
InChIInChI=1S/C17H16BrN3O2/c18-14-4-5-15-13(8-14)3-6-17(23)21(15)11-16(22)20-10-12-2-1-7-19-9-12/h1-2,4-5,7-9H,3,6,10-11H2,(H,20,22)
InChIKeyFNCVRISTCURXFD-UHFFFAOYSA-N
XLogP2.44
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(pyridin-3-ylmethyl)acetamide (CID 22576582) is 2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(pyridin-3-ylmethyl)acetamide is O=C(CN1C(=O)CCc2cc(Br)ccc21)NCc1cccnc1.
What is the InChIKey of 2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is FNCVRISTCURXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O2/c18-14-4-5-15-13(8-14)3-6-17(23)21(15)11-16(22)20-10-12-2-1-7-19-9-12/h1-2,4-5,7-9H,3,6,10-11H2,(H,20,22).
What are the key properties of 2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 374.24 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 22576582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).