6-[3-[5-[3-(1H-benzimidazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]furan-2-yl]quinolin-6-yl]-7-pyridin-3-yl-1H-1,8-naphthyridin-4-one

C41H24N8O3 — CID 155170950

IUPAC6-[3-[5-[3-(1H-benzimidazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]furan-2-yl]quinolin-6-yl]-7-pyridin-3-yl-1H-1,8-naphthyridin-4-one
SMILESO=c1cc[nH]c2nc(-c3cccnc3)c(-c3ccc4ncc(-c5ccc(-c6nc7[nH]ccc(=O)c7cc6-c6ccc7[nH]cnc7c6)o5)cc4c3)cc12
InChIInChI=1S/C41H24N8O3/c50-34-9-12-43-40-29(34)17-27(38(48-40)24-2-1-11-42-19-24)22-3-5-31-25(14-22)15-26(20-45-31)36-7-8-37(52-36)39-28(18-30-35(51)10-13-44-41(30)49-39)23-4-6-32-33(16-23)47-21-46-32/h1-21H,(H,46,47)(H,43,48,50)(H,44,49,51)
InChIKeyYURRKLNNLSPMQU-UHFFFAOYSA-N
MW676.70 g/mol
LogP7.91
Rot. Bonds5

About 6-[3-[5-[3-(1H-benzimidazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]furan-2-yl]quinolin-6-yl]-7-pyridin-3-yl-1H-1,8-naphthyridin-4-one

6-[3-[5-[3-(1H-benzimidazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]furan-2-yl]quinolin-6-yl]-7-pyridin-3-yl-1H-1,8-naphthyridin-4-one (PubChem CID 155170950) has the molecular formula C41H24N8O3 and a molecular weight of 676.70 g/mol. Its IUPAC name is 6-[3-[5-[3-(1H-benzimidazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]furan-2-yl]quinolin-6-yl]-7-pyridin-3-yl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-[3-[5-[3-(1H-benzimidazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]furan-2-yl]quinolin-6-yl]-7-pyridin-3-yl-1H-1,8-naphthyridin-4-one
PubChem CID155170950
Molecular FormulaC41H24N8O3
Molecular Weight676.70 g/mol
Exact Mass676.20
IUPAC Name6-[3-[5-[3-(1H-benzimidazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]furan-2-yl]quinolin-6-yl]-7-pyridin-3-yl-1H-1,8-naphthyridin-4-one
SMILESO=c1cc[nH]c2nc(-c3cccnc3)c(-c3ccc4ncc(-c5ccc(-c6nc7[nH]ccc(=O)c7cc6-c6ccc7[nH]cnc7c6)o5)cc4c3)cc12
InChIInChI=1S/C41H24N8O3/c50-34-9-12-43-40-29(34)17-27(38(48-40)24-2-1-11-42-19-24)22-3-5-31-25(14-22)15-26(20-45-31)36-7-8-37(52-36)39-28(18-30-35(51)10-13-44-41(30)49-39)23-4-6-32-33(16-23)47-21-46-32/h1-21H,(H,46,47)(H,43,48,50)(H,44,49,51)
InChIKeyYURRKLNNLSPMQU-UHFFFAOYSA-N
XLogP7.91
TPSA159.10 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.70
LogP ≤ 57.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-[3-[5-[3-(1H-benzimidazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]furan-2-yl]quinolin-6-yl]-7-pyridin-3-yl-1H-1,8-naphthyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[5-[3-(1H-benzimidazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]furan-2-yl]quinolin-6-yl]-7-pyridin-3-yl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6-[3-[5-[3-(1H-benzimidazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]furan-2-yl]quinolin-6-yl]-7-pyridin-3-yl-1H-1,8-naphthyridin-4-one (CID 155170950) is 6-[3-[5-[3-(1H-benzimidazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]furan-2-yl]quinolin-6-yl]-7-pyridin-3-yl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-[3-[5-[3-(1H-benzimidazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]furan-2-yl]quinolin-6-yl]-7-pyridin-3-yl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-[3-[5-[3-(1H-benzimidazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]furan-2-yl]quinolin-6-yl]-7-pyridin-3-yl-1H-1,8-naphthyridin-4-one is O=c1cc[nH]c2nc(-c3cccnc3)c(-c3ccc4ncc(-c5ccc(-c6nc7[nH]ccc(=O)c7cc6-c6ccc7[nH]cnc7c6)o5)cc4c3)cc12.
What is the InChIKey of 6-[3-[5-[3-(1H-benzimidazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]furan-2-yl]quinolin-6-yl]-7-pyridin-3-yl-1H-1,8-naphthyridin-4-one?
The InChIKey is YURRKLNNLSPMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24N8O3/c50-34-9-12-43-40-29(34)17-27(38(48-40)24-2-1-11-42-19-24)22-3-5-31-25(14-22)15-26(20-45-31)36-7-8-37(52-36)39-28(18-30-35(51)10-13-44-41(30)49-39)23-4-6-32-33(16-23)47-21-46-32/h1-21H,(H,46,47)(H,43,48,50)(H,44,49,51).
What are the key properties of 6-[3-[5-[3-(1H-benzimidazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]furan-2-yl]quinolin-6-yl]-7-pyridin-3-yl-1H-1,8-naphthyridin-4-one?
6-[3-[5-[3-(1H-benzimidazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]furan-2-yl]quinolin-6-yl]-7-pyridin-3-yl-1H-1,8-naphthyridin-4-one has a molecular weight of 676.70 g/mol, XLogP of 7.91, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[5-[3-(1H-benzimidazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]furan-2-yl]quinolin-6-yl]-7-pyridin-3-yl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 155170950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).