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

C25H16N4O — CID 154604994

IUPAC2-methyl-3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile
SMILESCc1c(C#N)cccc1-c1nc2[nH]ccc(=O)c2cc1-c1ccc2ncccc2c1
InChIInChI=1S/C25H16N4O/c1-15-18(14-26)4-2-6-19(15)24-20(13-21-23(30)9-11-28-25(21)29-24)16-7-8-22-17(12-16)5-3-10-27-22/h2-13H,1H3,(H,28,29,30)
InChIKeyIEGLNMRIUDSAEK-UHFFFAOYSA-N
MW388.43 g/mol
LogP4.99
Rot. Bonds2

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

2-methyl-3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile (PubChem CID 154604994) has the molecular formula C25H16N4O and a molecular weight of 388.43 g/mol. Its IUPAC name is 2-methyl-3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile.

Molecular Properties

Compound Name2-methyl-3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile
PubChem CID154604994
Molecular FormulaC25H16N4O
Molecular Weight388.43 g/mol
Exact Mass388.13
IUPAC Name2-methyl-3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile
SMILESCc1c(C#N)cccc1-c1nc2[nH]ccc(=O)c2cc1-c1ccc2ncccc2c1
InChIInChI=1S/C25H16N4O/c1-15-18(14-26)4-2-6-19(15)24-20(13-21-23(30)9-11-28-25(21)29-24)16-7-8-22-17(12-16)5-3-10-27-22/h2-13H,1H3,(H,28,29,30)
InChIKeyIEGLNMRIUDSAEK-UHFFFAOYSA-N
XLogP4.99
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile
CID 154604858
7-(5-methyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137438504
7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137423248
4-oxo-7-[3-[6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)cinnolin-3-yl]phenyl]-6-quinolin-6-yl-1H-1,8-naphthyridine-3-carbonitrile
CID 155170926
7-(2-methyltriazol-4-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137438402
7-(1,3,4-oxadiazol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137437968
3-[3-[2-(dimethylamino)-6-methyl-4-pyridinyl]-5-oxo-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile
CID 154604835
6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinoline-2-carbonitrile
CID 137438727
3-[3-(3-methylbenzimidazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile
CID 154605029
5-methyl-6-[3-[3-(7-methyl-5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)phenyl]quinolin-6-yl]-7-phenyl-1H-1,8-naphthyridin-4-one
CID 155170905
3-[3-(1,3-benzothiazol-6-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile
CID 154605008
6-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-[3-(1H-indazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile;6-(1-methyl-6-oxo-3-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile
CID 163656576

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile?
The IUPAC name of 2-methyl-3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile (CID 154604994) is 2-methyl-3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile.
What is the SMILES notation for 2-methyl-3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile?
The canonical SMILES for 2-methyl-3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile is Cc1c(C#N)cccc1-c1nc2[nH]ccc(=O)c2cc1-c1ccc2ncccc2c1.
What is the InChIKey of 2-methyl-3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile?
The InChIKey is IEGLNMRIUDSAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N4O/c1-15-18(14-26)4-2-6-19(15)24-20(13-21-23(30)9-11-28-25(21)29-24)16-7-8-22-17(12-16)5-3-10-27-22/h2-13H,1H3,(H,28,29,30).
What are the key properties of 2-methyl-3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile?
2-methyl-3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile has a molecular weight of 388.43 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile is sourced from PubChem (CID 154604994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).