6-[3-[[3-(6-benzamido-5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)phenyl]methyl]-1-chloroisoquinolin-6-yl]-N-benzyl-7-[3-[8-chloro-6-(4-fluoro-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]-4-fluorophenyl]-4-oxo-1H-1,8-naphthyridine-3-carboxamide

C85H51Cl2F2N11O5 — CID 155170990

IUPAC6-[3-[[3-(6-benzamido-5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)phenyl]methyl]-1-chloroisoquinolin-6-yl]-N-benzyl-7-[3-[8-chloro-6-(4-fluoro-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]-4-fluorophenyl]-4-oxo-1H-1,8-naphthyridine-3-carboxamide
SMILESO=C(Nc1c[nH]c2nc(-c3cccc(Cc4cc5cc(-c6cc7c(=O)c(C(=O)NCc8ccccc8)c[nH]c7nc6-c6ccc(F)c(-c7cnc8c(Cl)cc(-c9c(-c%10ccccc%10)nc%10[nH]ccc(=O)c%10c9F)cc8c7)c6)ccc5c(Cl)n4)c3)c(-c3ccc4ncccc4c3)cc2c1=O)c1ccccc1
InChIInChI=1S/C85H51Cl2F2N11O5/c86-66-38-55(71-73(89)72-70(101)27-29-91-83(72)100-77(71)47-15-6-2-7-16-47)34-56-35-57(42-92-76(56)66)60-37-53(22-25-67(60)88)75-61(39-63-78(102)65(43-93-81(63)99-75)85(105)95-41-45-12-4-1-5-13-45)49-21-24-59-54(33-49)36-58(96-80(59)87)31-46-14-10-19-52(30-46)74-62(50-23-26-68-51(32-50)20-11-28-90-68)40-64-79(103)69(44-94-82(64)98-74)97-84(104)48-17-8-3-9-18-48/h1-30,32-40,42-44H,31,41H2,(H,95,105)(H,97,104)(H,91,100,101)(H,93,99,102)(H,94,98,103)
InChIKeyPDLKSGBNCMGJTH-UHFFFAOYSA-N
MW1415.32 g/mol
LogP18.07
Rot. Bonds14

About 6-[3-[[3-(6-benzamido-5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)phenyl]methyl]-1-chloroisoquinolin-6-yl]-N-benzyl-7-[3-[8-chloro-6-(4-fluoro-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]-4-fluorophenyl]-4-oxo-1H-1,8-naphthyridine-3-carboxamide

6-[3-[[3-(6-benzamido-5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)phenyl]methyl]-1-chloroisoquinolin-6-yl]-N-benzyl-7-[3-[8-chloro-6-(4-fluoro-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]-4-fluorophenyl]-4-oxo-1H-1,8-naphthyridine-3-carboxamide (PubChem CID 155170990) has the molecular formula C85H51Cl2F2N11O5 and a molecular weight of 1415.32 g/mol. Its IUPAC name is 6-[3-[[3-(6-benzamido-5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)phenyl]methyl]-1-chloroisoquinolin-6-yl]-N-benzyl-7-[3-[8-chloro-6-(4-fluoro-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]-4-fluorophenyl]-4-oxo-1H-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name6-[3-[[3-(6-benzamido-5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)phenyl]methyl]-1-chloroisoquinolin-6-yl]-N-benzyl-7-[3-[8-chloro-6-(4-fluoro-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]-4-fluorophenyl]-4-oxo-1H-1,8-naphthyridine-3-carboxamide
PubChem CID155170990
Molecular FormulaC85H51Cl2F2N11O5
Molecular Weight1415.32 g/mol
Exact Mass1413.34
IUPAC Name6-[3-[[3-(6-benzamido-5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)phenyl]methyl]-1-chloroisoquinolin-6-yl]-N-benzyl-7-[3-[8-chloro-6-(4-fluoro-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]-4-fluorophenyl]-4-oxo-1H-1,8-naphthyridine-3-carboxamide
SMILESO=C(Nc1c[nH]c2nc(-c3cccc(Cc4cc5cc(-c6cc7c(=O)c(C(=O)NCc8ccccc8)c[nH]c7nc6-c6ccc(F)c(-c7cnc8c(Cl)cc(-c9c(-c%10ccccc%10)nc%10[nH]ccc(=O)c%10c9F)cc8c7)c6)ccc5c(Cl)n4)c3)c(-c3ccc4ncccc4c3)cc2c1=O)c1ccccc1
InChIInChI=1S/C85H51Cl2F2N11O5/c86-66-38-55(71-73(89)72-70(101)27-29-91-83(72)100-77(71)47-15-6-2-7-16-47)34-56-35-57(42-92-76(56)66)60-37-53(22-25-67(60)88)75-61(39-63-78(102)65(43-93-81(63)99-75)85(105)95-41-45-12-4-1-5-13-45)49-21-24-59-54(33-49)36-58(96-80(59)87)31-46-14-10-19-52(30-46)74-62(50-23-26-68-51(32-50)20-11-28-90-68)40-64-79(103)69(44-94-82(64)98-74)97-84(104)48-17-8-3-9-18-48/h1-30,32-40,42-44H,31,41H2,(H,95,105)(H,97,104)(H,91,100,101)(H,93,99,102)(H,94,98,103)
InChIKeyPDLKSGBNCMGJTH-UHFFFAOYSA-N
XLogP18.07
TPSA234.12 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001415.32
LogP ≤ 518.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-[3-[[3-(6-benzamido-5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)phenyl]methyl]-1-chloroisoquinolin-6-yl]-N-benzyl-7-[3-[8-chloro-6-(4-fluoro-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]-4-fluorophenyl]-4-oxo-1H-1,8-naphthyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[[3-(6-benzamido-5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)phenyl]methyl]-1-chloroisoquinolin-6-yl]-N-benzyl-7-[3-[8-chloro-6-(4-fluoro-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]-4-fluorophenyl]-4-oxo-1H-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 6-[3-[[3-(6-benzamido-5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)phenyl]methyl]-1-chloroisoquinolin-6-yl]-N-benzyl-7-[3-[8-chloro-6-(4-fluoro-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]-4-fluorophenyl]-4-oxo-1H-1,8-naphthyridine-3-carboxamide (CID 155170990) is 6-[3-[[3-(6-benzamido-5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)phenyl]methyl]-1-chloroisoquinolin-6-yl]-N-benzyl-7-[3-[8-chloro-6-(4-fluoro-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]-4-fluorophenyl]-4-oxo-1H-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 6-[3-[[3-(6-benzamido-5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)phenyl]methyl]-1-chloroisoquinolin-6-yl]-N-benzyl-7-[3-[8-chloro-6-(4-fluoro-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]-4-fluorophenyl]-4-oxo-1H-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 6-[3-[[3-(6-benzamido-5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)phenyl]methyl]-1-chloroisoquinolin-6-yl]-N-benzyl-7-[3-[8-chloro-6-(4-fluoro-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]-4-fluorophenyl]-4-oxo-1H-1,8-naphthyridine-3-carboxamide is O=C(Nc1c[nH]c2nc(-c3cccc(Cc4cc5cc(-c6cc7c(=O)c(C(=O)NCc8ccccc8)c[nH]c7nc6-c6ccc(F)c(-c7cnc8c(Cl)cc(-c9c(-c%10ccccc%10)nc%10[nH]ccc(=O)c%10c9F)cc8c7)c6)ccc5c(Cl)n4)c3)c(-c3ccc4ncccc4c3)cc2c1=O)c1ccccc1.
What is the InChIKey of 6-[3-[[3-(6-benzamido-5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)phenyl]methyl]-1-chloroisoquinolin-6-yl]-N-benzyl-7-[3-[8-chloro-6-(4-fluoro-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]-4-fluorophenyl]-4-oxo-1H-1,8-naphthyridine-3-carboxamide?
The InChIKey is PDLKSGBNCMGJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H51Cl2F2N11O5/c86-66-38-55(71-73(89)72-70(101)27-29-91-83(72)100-77(71)47-15-6-2-7-16-47)34-56-35-57(42-92-76(56)66)60-37-53(22-25-67(60)88)75-61(39-63-78(102)65(43-93-81(63)99-75)85(105)95-41-45-12-4-1-5-13-45)49-21-24-59-54(33-49)36-58(96-80(59)87)31-46-14-10-19-52(30-46)74-62(50-23-26-68-51(32-50)20-11-28-90-68)40-64-79(103)69(44-94-82(64)98-74)97-84(104)48-17-8-3-9-18-48/h1-30,32-40,42-44H,31,41H2,(H,95,105)(H,97,104)(H,91,100,101)(H,93,99,102)(H,94,98,103).
What are the key properties of 6-[3-[[3-(6-benzamido-5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)phenyl]methyl]-1-chloroisoquinolin-6-yl]-N-benzyl-7-[3-[8-chloro-6-(4-fluoro-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]-4-fluorophenyl]-4-oxo-1H-1,8-naphthyridine-3-carboxamide?
6-[3-[[3-(6-benzamido-5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)phenyl]methyl]-1-chloroisoquinolin-6-yl]-N-benzyl-7-[3-[8-chloro-6-(4-fluoro-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]-4-fluorophenyl]-4-oxo-1H-1,8-naphthyridine-3-carboxamide has a molecular weight of 1415.32 g/mol, XLogP of 18.07, 14 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[[3-(6-benzamido-5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)phenyl]methyl]-1-chloroisoquinolin-6-yl]-N-benzyl-7-[3-[8-chloro-6-(4-fluoro-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]-4-fluorophenyl]-4-oxo-1H-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 155170990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).