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

C46H26N8O2 — CID 155170926

IUPAC4-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
SMILESN#Cc1c[nH]c2nc(-c3cccc(-c4cc5cc(-c6cc7c(=O)cc[nH]c7nc6-c6ccccc6)ccc5nn4)c3)c(-c3ccc4ncccc4c3)cc2c1=O
InChIInChI=1S/C46H26N8O2/c47-24-33-25-50-46-37(44(33)56)23-35(27-11-13-38-29(18-27)10-5-16-48-38)43(52-46)31-9-4-8-30(20-31)40-21-32-19-28(12-14-39(32)53-54-40)34-22-36-41(55)15-17-49-45(36)51-42(34)26-6-2-1-3-7-26/h1-23,25H,(H,49,51,55)(H,50,52,56)
InChIKeyGVYFAHJMSFJYOQ-UHFFFAOYSA-N
MW722.77 g/mol
LogP8.86
Rot. Bonds5

About 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

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 (PubChem CID 155170926) has the molecular formula C46H26N8O2 and a molecular weight of 722.77 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID155170926
Molecular FormulaC46H26N8O2
Molecular Weight722.77 g/mol
Exact Mass722.22
IUPAC Name4-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
SMILESN#Cc1c[nH]c2nc(-c3cccc(-c4cc5cc(-c6cc7c(=O)cc[nH]c7nc6-c6ccccc6)ccc5nn4)c3)c(-c3ccc4ncccc4c3)cc2c1=O
InChIInChI=1S/C46H26N8O2/c47-24-33-25-50-46-37(44(33)56)23-35(27-11-13-38-29(18-27)10-5-16-48-38)43(52-46)31-9-4-8-30(20-31)40-21-32-19-28(12-14-39(32)53-54-40)34-22-36-41(55)15-17-49-45(36)51-42(34)26-6-2-1-3-7-26/h1-23,25H,(H,49,51,55)(H,50,52,56)
InChIKeyGVYFAHJMSFJYOQ-UHFFFAOYSA-N
XLogP8.86
TPSA153.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.77
LogP ≤ 58.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137423248
2-methyl-3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile
CID 154604994
2-fluoro-3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile
CID 154604858
6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinoline-2-carbonitrile
CID 137438727
7-(5-methyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137438504
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
6-(1,8-naphthyridin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one
CID 137423219
7-(1,3,4-oxadiazol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137437968
7-(2-methyltriazol-4-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137438402
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
3-[3-(1,3-benzothiazol-6-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile
CID 154605008
3-[3-(3-methylbenzimidazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile
CID 154605029

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1c[nH]c2nc(-c3cccc(-c4cc5cc(-c6cc7c(=O)cc[nH]c7nc6-c6ccccc6)ccc5nn4)c3)c(-c3ccc4ncccc4c3)cc2c1=O.
What is the InChIKey of 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?
The InChIKey is GVYFAHJMSFJYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26N8O2/c47-24-33-25-50-46-37(44(33)56)23-35(27-11-13-38-29(18-27)10-5-16-48-38)43(52-46)31-9-4-8-30(20-31)40-21-32-19-28(12-14-39(32)53-54-40)34-22-36-41(55)15-17-49-45(36)51-42(34)26-6-2-1-3-7-26/h1-23,25H,(H,49,51,55)(H,50,52,56).
What are the key properties of 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?
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 has a molecular weight of 722.77 g/mol, XLogP of 8.86, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155170926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).