2-fluoro-3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile

C24H13FN4O — CID 154604858

IUPAC2-fluoro-3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile
SMILESN#Cc1cccc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncccc3c2)c1F
InChIInChI=1S/C24H13FN4O/c25-22-16(13-26)3-1-5-17(22)23-18(12-19-21(30)8-10-28-24(19)29-23)14-6-7-20-15(11-14)4-2-9-27-20/h1-12H,(H,28,29,30)
InChIKeyQSIXQKPHTNDGHR-UHFFFAOYSA-N
MW392.39 g/mol
LogP4.82
Rot. Bonds2

About 2-fluoro-3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile

2-fluoro-3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile (PubChem CID 154604858) has the molecular formula C24H13FN4O and a molecular weight of 392.39 g/mol. Its IUPAC name is 2-fluoro-3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile.

Molecular Properties

Compound Name2-fluoro-3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile
PubChem CID154604858
Molecular FormulaC24H13FN4O
Molecular Weight392.39 g/mol
Exact Mass392.11
IUPAC Name2-fluoro-3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile
SMILESN#Cc1cccc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncccc3c2)c1F
InChIInChI=1S/C24H13FN4O/c25-22-16(13-26)3-1-5-17(22)23-18(12-19-21(30)8-10-28-24(19)29-23)14-6-7-20-15(11-14)4-2-9-27-20/h1-12H,(H,28,29,30)
InChIKeyQSIXQKPHTNDGHR-UHFFFAOYSA-N
XLogP4.82
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile?
The IUPAC name of 2-fluoro-3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile (CID 154604858) is 2-fluoro-3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile.
What is the SMILES notation for 2-fluoro-3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile?
The canonical SMILES for 2-fluoro-3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile is N#Cc1cccc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncccc3c2)c1F.
What is the InChIKey of 2-fluoro-3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile?
The InChIKey is QSIXQKPHTNDGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13FN4O/c25-22-16(13-26)3-1-5-17(22)23-18(12-19-21(30)8-10-28-24(19)29-23)14-6-7-20-15(11-14)4-2-9-27-20/h1-12H,(H,28,29,30).
What are the key properties of 2-fluoro-3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile?
2-fluoro-3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile has a molecular weight of 392.39 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile is sourced from PubChem (CID 154604858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).