1-[7-[3-[8-chloro-6-[2-[3-[8-chloro-6-[7-(cyclopentylmethyl)-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-[(6-methyl-3-pyridinyl)sulfamoylmethyl]-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-4-oxo-1H-1,8-naphthyridin-2-yl]-N-(4-methoxyphenyl)methanesulfonamide

C90H65Cl3N12O8S2 — CID 155170917

About 1-[7-[3-[8-chloro-6-[2-[3-[8-chloro-6-[7-(cyclopentylmethyl)-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-[(6-methyl-3-pyridinyl)sulfamoylmethyl]-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-4-oxo-1H-1,8-naphthyridin-2-yl]-N-(4-methoxyphenyl)methanesulfonamide

1-[7-[3-[8-chloro-6-[2-[3-[8-chloro-6-[7-(cyclopentylmethyl)-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-[(6-methyl-3-pyridinyl)sulfamoylmethyl]-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-4-oxo-1H-1,8-naphthyridin-2-yl]-N-(4-methoxyphenyl)methanesulfonamide (PubChem CID 155170917) has the molecular formula C90H65Cl3N12O8S2 and a molecular weight of 1613.08 g/mol. Its IUPAC name is 1-[7-[3-[8-chloro-6-[2-[3-[8-chloro-6-[7-(cyclopentylmethyl)-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-[(6-methyl-3-pyridinyl)sulfamoylmethyl]-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-4-oxo-1H-1,8-naphthyridin-2-yl]-N-(4-methoxyphenyl)methanesulfonamide.

Molecular Properties

• Compound Name: 1-[7-[3-[8-chloro-6-[2-[3-[8-chloro-6-[7-(cyclopentylmethyl)-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-[(6-methyl-3-pyridinyl)sulfamoylmethyl]-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-4-oxo-1H-1,8-naphthyridin-2-yl]-N-(4-methoxyphenyl)methanesulfonamide
• PubChem CID: 155170917
• Molecular Formula: C90H65Cl3N12O8S2
• Molecular Weight: 1613.08 g/mol
• Exact Mass: 1610.36
• IUPAC Name: 1-[7-[3-[8-chloro-6-[2-[3-[8-chloro-6-[7-(cyclopentylmethyl)-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-[(6-methyl-3-pyridinyl)sulfamoylmethyl]-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-4-oxo-1H-1,8-naphthyridin-2-yl]-N-(4-methoxyphenyl)methanesulfonamide
• SMILES: COc1ccc(NS(=O)(=O)Cc2cc(=O)c3cc(-c4cc(Cl)c5ncccc5c4)c(-c4cccc(-c5cnc6c(Cl)cc(-c7cc8c(=O)c(CS(=O)(=O)Nc9ccc(C)nc9)c[nH]c8nc7-c7cccc(-c8cnc9c(Cl)cc(-c%10cc%11c(=O)cc(CC%12CCCC%12)[nH]c%11nc%10-c%10ccccc%10)cc9c8)c7)cc6c5)c4)nc3[nH]2)cc1
• InChI: InChI=1S/C90H65Cl3N12O8S2/c1-49-20-21-66(46-95-49)105-114(109,110)47-64-45-98-88-75(87(64)108)42-72(82(101-88)54-17-8-15-52(28-54)62-33-60-31-58(36-77(92)85(60)96-43-62)70-40-73-79(106)38-67(27-50-11-6-7-12-50)99-89(73)102-81(70)51-13-4-3-5-14-51)59-32-61-34-63(44-97-86(61)78(93)37-59)53-16-9-18-55(29-53)83-71(57-30-56-19-10-26-94-84(56)76(91)35-57)41-74-80(107)39-68(100-90(74)103-83)48-115(111,112)104-65-22-24-69(113-2)25-23-65/h3-5,8-10,13-26,28-46,50,104-105H,6-7,11-12,27,47-48H2,1-2H3,(H,98,101,108)(H,99,102,106)(H,100,103,107)
• InChIKey: ZILKZDPGYBIDBW-UHFFFAOYSA-N
• XLogP: 19.67
• TPSA: 290.38 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 19
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1613.08
LogP ≤ 5	19.67
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 1-[7-[3-[8-chloro-6-[2-[3-[8-chloro-6-[7-(cyclopentylmethyl)-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-[(6-methyl-3-pyridinyl)sulfamoylmethyl]-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-4-oxo-1H-1,8-naphthyridin-2-yl]-N-(4-methoxyphenyl)methanesulfonamide?

The IUPAC name of 1-[7-[3-[8-chloro-6-[2-[3-[8-chloro-6-[7-(cyclopentylmethyl)-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-[(6-methyl-3-pyridinyl)sulfamoylmethyl]-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-4-oxo-1H-1,8-naphthyridin-2-yl]-N-(4-methoxyphenyl)methanesulfonamide (CID 155170917) is 1-[7-[3-[8-chloro-6-[2-[3-[8-chloro-6-[7-(cyclopentylmethyl)-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-[(6-methyl-3-pyridinyl)sulfamoylmethyl]-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-4-oxo-1H-1,8-naphthyridin-2-yl]-N-(4-methoxyphenyl)methanesulfonamide.

What is the SMILES notation for 1-[7-[3-[8-chloro-6-[2-[3-[8-chloro-6-[7-(cyclopentylmethyl)-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-[(6-methyl-3-pyridinyl)sulfamoylmethyl]-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-4-oxo-1H-1,8-naphthyridin-2-yl]-N-(4-methoxyphenyl)methanesulfonamide?

The canonical SMILES for 1-[7-[3-[8-chloro-6-[2-[3-[8-chloro-6-[7-(cyclopentylmethyl)-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-[(6-methyl-3-pyridinyl)sulfamoylmethyl]-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-4-oxo-1H-1,8-naphthyridin-2-yl]-N-(4-methoxyphenyl)methanesulfonamide is COc1ccc(NS(=O)(=O)Cc2cc(=O)c3cc(-c4cc(Cl)c5ncccc5c4)c(-c4cccc(-c5cnc6c(Cl)cc(-c7cc8c(=O)c(CS(=O)(=O)Nc9ccc(C)nc9)c[nH]c8nc7-c7cccc(-c8cnc9c(Cl)cc(-c%10cc%11c(=O)cc(CC%12CCCC%12)[nH]c%11nc%10-c%10ccccc%10)cc9c8)c7)cc6c5)c4)nc3[nH]2)cc1.

What is the InChIKey of 1-[7-[3-[8-chloro-6-[2-[3-[8-chloro-6-[7-(cyclopentylmethyl)-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-[(6-methyl-3-pyridinyl)sulfamoylmethyl]-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-4-oxo-1H-1,8-naphthyridin-2-yl]-N-(4-methoxyphenyl)methanesulfonamide?

The InChIKey is ZILKZDPGYBIDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H65Cl3N12O8S2/c1-49-20-21-66(46-95-49)105-114(109,110)47-64-45-98-88-75(87(64)108)42-72(82(101-88)54-17-8-15-52(28-54)62-33-60-31-58(36-77(92)85(60)96-43-62)70-40-73-79(106)38-67(27-50-11-6-7-12-50)99-89(73)102-81(70)51-13-4-3-5-14-51)59-32-61-34-63(44-97-86(61)78(93)37-59)53-16-9-18-55(29-53)83-71(57-30-56-19-10-26-94-84(56)76(91)35-57)41-74-80(107)39-68(100-90(74)103-83)48-115(111,112)104-65-22-24-69(113-2)25-23-65/h3-5,8-10,13-26,28-46,50,104-105H,6-7,11-12,27,47-48H2,1-2H3,(H,98,101,108)(H,99,102,106)(H,100,103,107).

What are the key properties of 1-[7-[3-[8-chloro-6-[2-[3-[8-chloro-6-[7-(cyclopentylmethyl)-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-[(6-methyl-3-pyridinyl)sulfamoylmethyl]-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-4-oxo-1H-1,8-naphthyridin-2-yl]-N-(4-methoxyphenyl)methanesulfonamide?

1-[7-[3-[8-chloro-6-[2-[3-[8-chloro-6-[7-(cyclopentylmethyl)-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-[(6-methyl-3-pyridinyl)sulfamoylmethyl]-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-4-oxo-1H-1,8-naphthyridin-2-yl]-N-(4-methoxyphenyl)methanesulfonamide has a molecular weight of 1613.08 g/mol, XLogP of 19.67, 19 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[7-[3-[8-chloro-6-[2-[3-[8-chloro-6-[7-(cyclopentylmethyl)-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-[(6-methyl-3-pyridinyl)sulfamoylmethyl]-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-4-oxo-1H-1,8-naphthyridin-2-yl]-N-(4-methoxyphenyl)methanesulfonamide is sourced from PubChem (CID 155170917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).