2-(8-fluoro-4-oxoquinolin-1-yl)-N-(pyridin-4-ylmethyl)acetamide

C17H14FN3O2 — CID 43833298

IUPAC2-(8-fluoro-4-oxoquinolin-1-yl)-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(Cn1ccc(=O)c2cccc(F)c21)NCc1ccncc1
InChIInChI=1S/C17H14FN3O2/c18-14-3-1-2-13-15(22)6-9-21(17(13)14)11-16(23)20-10-12-4-7-19-8-5-12/h1-9H,10-11H2,(H,20,23)
InChIKeyMWANMAVNXWIFBG-UHFFFAOYSA-N
MW311.32 g/mol
LogP1.85
Rot. Bonds4

About 2-(8-fluoro-4-oxoquinolin-1-yl)-N-(pyridin-4-ylmethyl)acetamide

2-(8-fluoro-4-oxoquinolin-1-yl)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 43833298) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is 2-(8-fluoro-4-oxoquinolin-1-yl)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(8-fluoro-4-oxoquinolin-1-yl)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID43833298
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Name2-(8-fluoro-4-oxoquinolin-1-yl)-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(Cn1ccc(=O)c2cccc(F)c21)NCc1ccncc1
InChIInChI=1S/C17H14FN3O2/c18-14-3-1-2-13-15(22)6-9-21(17(13)14)11-16(23)20-10-12-4-7-19-8-5-12/h1-9H,10-11H2,(H,20,23)
InChIKeyMWANMAVNXWIFBG-UHFFFAOYSA-N
XLogP1.85
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoro-4-oxoquinolin-1-yl)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(8-fluoro-4-oxoquinolin-1-yl)-N-(pyridin-4-ylmethyl)acetamide (CID 43833298) is 2-(8-fluoro-4-oxoquinolin-1-yl)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(8-fluoro-4-oxoquinolin-1-yl)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(8-fluoro-4-oxoquinolin-1-yl)-N-(pyridin-4-ylmethyl)acetamide is O=C(Cn1ccc(=O)c2cccc(F)c21)NCc1ccncc1.
What is the InChIKey of 2-(8-fluoro-4-oxoquinolin-1-yl)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is MWANMAVNXWIFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c18-14-3-1-2-13-15(22)6-9-21(17(13)14)11-16(23)20-10-12-4-7-19-8-5-12/h1-9H,10-11H2,(H,20,23).
What are the key properties of 2-(8-fluoro-4-oxoquinolin-1-yl)-N-(pyridin-4-ylmethyl)acetamide?
2-(8-fluoro-4-oxoquinolin-1-yl)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 311.32 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-fluoro-4-oxoquinolin-1-yl)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 43833298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).