2-(5,6-difluoro-2-oxo-1H-quinolin-3-yl)-N-[(3,5-difluoro-2-pyridinyl)methyl]acetamide

C17H11F4N3O2 — CID 177350565

IUPAC2-(5,6-difluoro-2-oxo-1H-quinolin-3-yl)-N-[(3,5-difluoro-2-pyridinyl)methyl]acetamide
SMILESO=C(Cc1cc2c(F)c(F)ccc2[nH]c1=O)NCc1ncc(F)cc1F
InChIInChI=1S/C17H11F4N3O2/c18-9-5-12(20)14(22-6-9)7-23-15(25)4-8-3-10-13(24-17(8)26)2-1-11(19)16(10)21/h1-3,5-6H,4,7H2,(H,23,25)(H,24,26)
InChIKeyNYBVDDOVHLCVFD-UHFFFAOYSA-N
MW365.29 g/mol
LogP2.34
Rot. Bonds4

About 2-(5,6-difluoro-2-oxo-1H-quinolin-3-yl)-N-[(3,5-difluoro-2-pyridinyl)methyl]acetamide

2-(5,6-difluoro-2-oxo-1H-quinolin-3-yl)-N-[(3,5-difluoro-2-pyridinyl)methyl]acetamide (PubChem CID 177350565) has the molecular formula C17H11F4N3O2 and a molecular weight of 365.29 g/mol. Its IUPAC name is 2-(5,6-difluoro-2-oxo-1H-quinolin-3-yl)-N-[(3,5-difluoro-2-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5,6-difluoro-2-oxo-1H-quinolin-3-yl)-N-[(3,5-difluoro-2-pyridinyl)methyl]acetamide
PubChem CID177350565
Molecular FormulaC17H11F4N3O2
Molecular Weight365.29 g/mol
Exact Mass365.08
IUPAC Name2-(5,6-difluoro-2-oxo-1H-quinolin-3-yl)-N-[(3,5-difluoro-2-pyridinyl)methyl]acetamide
SMILESO=C(Cc1cc2c(F)c(F)ccc2[nH]c1=O)NCc1ncc(F)cc1F
InChIInChI=1S/C17H11F4N3O2/c18-9-5-12(20)14(22-6-9)7-23-15(25)4-8-3-10-13(24-17(8)26)2-1-11(19)16(10)21/h1-3,5-6H,4,7H2,(H,23,25)(H,24,26)
InChIKeyNYBVDDOVHLCVFD-UHFFFAOYSA-N
XLogP2.34
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.29
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-difluoro-2-oxo-1H-quinolin-3-yl)-N-[(3,5-difluoro-2-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(5,6-difluoro-2-oxo-1H-quinolin-3-yl)-N-[(3,5-difluoro-2-pyridinyl)methyl]acetamide (CID 177350565) is 2-(5,6-difluoro-2-oxo-1H-quinolin-3-yl)-N-[(3,5-difluoro-2-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(5,6-difluoro-2-oxo-1H-quinolin-3-yl)-N-[(3,5-difluoro-2-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(5,6-difluoro-2-oxo-1H-quinolin-3-yl)-N-[(3,5-difluoro-2-pyridinyl)methyl]acetamide is O=C(Cc1cc2c(F)c(F)ccc2[nH]c1=O)NCc1ncc(F)cc1F.
What is the InChIKey of 2-(5,6-difluoro-2-oxo-1H-quinolin-3-yl)-N-[(3,5-difluoro-2-pyridinyl)methyl]acetamide?
The InChIKey is NYBVDDOVHLCVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F4N3O2/c18-9-5-12(20)14(22-6-9)7-23-15(25)4-8-3-10-13(24-17(8)26)2-1-11(19)16(10)21/h1-3,5-6H,4,7H2,(H,23,25)(H,24,26).
What are the key properties of 2-(5,6-difluoro-2-oxo-1H-quinolin-3-yl)-N-[(3,5-difluoro-2-pyridinyl)methyl]acetamide?
2-(5,6-difluoro-2-oxo-1H-quinolin-3-yl)-N-[(3,5-difluoro-2-pyridinyl)methyl]acetamide has a molecular weight of 365.29 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-difluoro-2-oxo-1H-quinolin-3-yl)-N-[(3,5-difluoro-2-pyridinyl)methyl]acetamide is sourced from PubChem (CID 177350565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).