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

C92H62Cl3N13O9S3 — CID 155170914

IUPACN-(benzenesulfonyl)-2-[7-[3-[8-chloro-6-[2-[3-[8-chloro-6-[6-[(6-methyl-3-pyridinyl)sulfinamoylmethyl]-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-7-[(4-methoxyphenyl)sulfinamoylmethyl]-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-4-yl]phenyl]-6-(8-chloroquinolin-6-yl)-4-oxo-1H-1,8-naphthyridin-3-yl]acetamide
SMILESCOc1ccc(NS(=O)Cc2cc(=O)c3cc(-c4cc(Cl)c5nccc(-c6cccc(-c7nc8[nH]cc(CC(=O)NS(=O)(=O)c9ccccc9)c(=O)c8cc7-c7cc(Cl)c8ncccc8c7)c6)c5c4)c(-c4cccc(-c5cnc6c(Cl)cc(-c7cc8c(=O)c(CS(=O)Nc9ccc(C)nc9)c[nH]c8nc7-c7ccccc7)cc6c5)c4)nc3[nH]2)cc1
InChIInChI=1S/C92H62Cl3N13O9S3/c1-50-21-22-65(47-98-50)107-118(113)48-63-46-101-91-76(89(63)112)42-71(82(103-91)51-12-5-3-6-13-51)58-33-60-34-61(44-99-86(60)78(94)37-58)52-14-9-16-54(30-52)84-70(41-74-80(109)40-66(102-92(74)105-84)49-119(114)106-64-23-25-67(117-2)26-24-64)59-35-73-69(27-29-97-87(73)79(95)38-59)53-15-10-17-55(31-53)83-72(57-32-56-18-11-28-96-85(56)77(93)36-57)43-75-88(111)62(45-100-90(75)104-83)39-81(110)108-120(115,116)68-19-7-4-8-20-68/h3-38,40-47,106-107H,39,48-49H2,1-2H3,(H,108,110)(H,100,104,111)(H,101,103,112)(H,102,105,109)
InChIKeyGPUCNWDKGFXBGV-UHFFFAOYSA-N
MW1696.15 g/mol
LogP18.65
Rot. Bonds21

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

N-(benzenesulfonyl)-2-[7-[3-[8-chloro-6-[2-[3-[8-chloro-6-[6-[(6-methyl-3-pyridinyl)sulfinamoylmethyl]-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-7-[(4-methoxyphenyl)sulfinamoylmethyl]-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-4-yl]phenyl]-6-(8-chloroquinolin-6-yl)-4-oxo-1H-1,8-naphthyridin-3-yl]acetamide (PubChem CID 155170914) has the molecular formula C92H62Cl3N13O9S3 and a molecular weight of 1696.15 g/mol. Its IUPAC name is N-(benzenesulfonyl)-2-[7-[3-[8-chloro-6-[2-[3-[8-chloro-6-[6-[(6-methyl-3-pyridinyl)sulfinamoylmethyl]-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-7-[(4-methoxyphenyl)sulfinamoylmethyl]-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-4-yl]phenyl]-6-(8-chloroquinolin-6-yl)-4-oxo-1H-1,8-naphthyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-2-[7-[3-[8-chloro-6-[2-[3-[8-chloro-6-[6-[(6-methyl-3-pyridinyl)sulfinamoylmethyl]-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-7-[(4-methoxyphenyl)sulfinamoylmethyl]-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-4-yl]phenyl]-6-(8-chloroquinolin-6-yl)-4-oxo-1H-1,8-naphthyridin-3-yl]acetamide
PubChem CID155170914
Molecular FormulaC92H62Cl3N13O9S3
Molecular Weight1696.15 g/mol
Exact Mass1693.30
IUPAC NameN-(benzenesulfonyl)-2-[7-[3-[8-chloro-6-[2-[3-[8-chloro-6-[6-[(6-methyl-3-pyridinyl)sulfinamoylmethyl]-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-7-[(4-methoxyphenyl)sulfinamoylmethyl]-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-4-yl]phenyl]-6-(8-chloroquinolin-6-yl)-4-oxo-1H-1,8-naphthyridin-3-yl]acetamide
SMILESCOc1ccc(NS(=O)Cc2cc(=O)c3cc(-c4cc(Cl)c5nccc(-c6cccc(-c7nc8[nH]cc(CC(=O)NS(=O)(=O)c9ccccc9)c(=O)c8cc7-c7cc(Cl)c8ncccc8c7)c6)c5c4)c(-c4cccc(-c5cnc6c(Cl)cc(-c7cc8c(=O)c(CS(=O)Nc9ccc(C)nc9)c[nH]c8nc7-c7ccccc7)cc6c5)c4)nc3[nH]2)cc1
InChIInChI=1S/C92H62Cl3N13O9S3/c1-50-21-22-65(47-98-50)107-118(113)48-63-46-101-91-76(89(63)112)42-71(82(103-91)51-12-5-3-6-13-51)58-33-60-34-61(44-99-86(60)78(94)37-58)52-14-9-16-54(30-52)84-70(41-74-80(109)40-66(102-92(74)105-84)49-119(114)106-64-23-25-67(117-2)26-24-64)59-35-73-69(27-29-97-87(73)79(95)38-59)53-15-10-17-55(31-53)83-72(57-32-56-18-11-28-96-85(56)77(93)36-57)43-75-88(111)62(45-100-90(75)104-83)39-81(110)108-120(115,116)68-19-7-4-8-20-68/h3-38,40-47,106-107H,39,48-49H2,1-2H3,(H,108,110)(H,100,104,111)(H,101,103,112)(H,102,105,109)
InChIKeyGPUCNWDKGFXBGV-UHFFFAOYSA-N
XLogP18.65
TPSA319.48 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds21
Heavy Atoms120
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001696.15
LogP ≤ 518.65
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Analyze N-(benzenesulfonyl)-2-[7-[3-[8-chloro-6-[2-[3-[8-chloro-6-[6-[(6-methyl-3-pyridinyl)sulfinamoylmethyl]-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-7-[(4-methoxyphenyl)sulfinamoylmethyl]-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-4-yl]phenyl]-6-(8-chloroquinolin-6-yl)-4-oxo-1H-1,8-naphthyridin-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-2-[7-[3-[8-chloro-6-[2-[3-[8-chloro-6-[6-[(6-methyl-3-pyridinyl)sulfinamoylmethyl]-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-7-[(4-methoxyphenyl)sulfinamoylmethyl]-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-4-yl]phenyl]-6-(8-chloroquinolin-6-yl)-4-oxo-1H-1,8-naphthyridin-3-yl]acetamide?
The IUPAC name of N-(benzenesulfonyl)-2-[7-[3-[8-chloro-6-[2-[3-[8-chloro-6-[6-[(6-methyl-3-pyridinyl)sulfinamoylmethyl]-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-7-[(4-methoxyphenyl)sulfinamoylmethyl]-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-4-yl]phenyl]-6-(8-chloroquinolin-6-yl)-4-oxo-1H-1,8-naphthyridin-3-yl]acetamide (CID 155170914) is N-(benzenesulfonyl)-2-[7-[3-[8-chloro-6-[2-[3-[8-chloro-6-[6-[(6-methyl-3-pyridinyl)sulfinamoylmethyl]-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-7-[(4-methoxyphenyl)sulfinamoylmethyl]-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-4-yl]phenyl]-6-(8-chloroquinolin-6-yl)-4-oxo-1H-1,8-naphthyridin-3-yl]acetamide.
What is the SMILES notation for N-(benzenesulfonyl)-2-[7-[3-[8-chloro-6-[2-[3-[8-chloro-6-[6-[(6-methyl-3-pyridinyl)sulfinamoylmethyl]-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-7-[(4-methoxyphenyl)sulfinamoylmethyl]-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-4-yl]phenyl]-6-(8-chloroquinolin-6-yl)-4-oxo-1H-1,8-naphthyridin-3-yl]acetamide?
The canonical SMILES for N-(benzenesulfonyl)-2-[7-[3-[8-chloro-6-[2-[3-[8-chloro-6-[6-[(6-methyl-3-pyridinyl)sulfinamoylmethyl]-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-7-[(4-methoxyphenyl)sulfinamoylmethyl]-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-4-yl]phenyl]-6-(8-chloroquinolin-6-yl)-4-oxo-1H-1,8-naphthyridin-3-yl]acetamide is COc1ccc(NS(=O)Cc2cc(=O)c3cc(-c4cc(Cl)c5nccc(-c6cccc(-c7nc8[nH]cc(CC(=O)NS(=O)(=O)c9ccccc9)c(=O)c8cc7-c7cc(Cl)c8ncccc8c7)c6)c5c4)c(-c4cccc(-c5cnc6c(Cl)cc(-c7cc8c(=O)c(CS(=O)Nc9ccc(C)nc9)c[nH]c8nc7-c7ccccc7)cc6c5)c4)nc3[nH]2)cc1.
What is the InChIKey of N-(benzenesulfonyl)-2-[7-[3-[8-chloro-6-[2-[3-[8-chloro-6-[6-[(6-methyl-3-pyridinyl)sulfinamoylmethyl]-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-7-[(4-methoxyphenyl)sulfinamoylmethyl]-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-4-yl]phenyl]-6-(8-chloroquinolin-6-yl)-4-oxo-1H-1,8-naphthyridin-3-yl]acetamide?
The InChIKey is GPUCNWDKGFXBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H62Cl3N13O9S3/c1-50-21-22-65(47-98-50)107-118(113)48-63-46-101-91-76(89(63)112)42-71(82(103-91)51-12-5-3-6-13-51)58-33-60-34-61(44-99-86(60)78(94)37-58)52-14-9-16-54(30-52)84-70(41-74-80(109)40-66(102-92(74)105-84)49-119(114)106-64-23-25-67(117-2)26-24-64)59-35-73-69(27-29-97-87(73)79(95)38-59)53-15-10-17-55(31-53)83-72(57-32-56-18-11-28-96-85(56)77(93)36-57)43-75-88(111)62(45-100-90(75)104-83)39-81(110)108-120(115,116)68-19-7-4-8-20-68/h3-38,40-47,106-107H,39,48-49H2,1-2H3,(H,108,110)(H,100,104,111)(H,101,103,112)(H,102,105,109).
What are the key properties of N-(benzenesulfonyl)-2-[7-[3-[8-chloro-6-[2-[3-[8-chloro-6-[6-[(6-methyl-3-pyridinyl)sulfinamoylmethyl]-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-7-[(4-methoxyphenyl)sulfinamoylmethyl]-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-4-yl]phenyl]-6-(8-chloroquinolin-6-yl)-4-oxo-1H-1,8-naphthyridin-3-yl]acetamide?
N-(benzenesulfonyl)-2-[7-[3-[8-chloro-6-[2-[3-[8-chloro-6-[6-[(6-methyl-3-pyridinyl)sulfinamoylmethyl]-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-7-[(4-methoxyphenyl)sulfinamoylmethyl]-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-4-yl]phenyl]-6-(8-chloroquinolin-6-yl)-4-oxo-1H-1,8-naphthyridin-3-yl]acetamide has a molecular weight of 1696.15 g/mol, XLogP of 18.65, 21 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-2-[7-[3-[8-chloro-6-[2-[3-[8-chloro-6-[6-[(6-methyl-3-pyridinyl)sulfinamoylmethyl]-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-7-[(4-methoxyphenyl)sulfinamoylmethyl]-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-4-yl]phenyl]-6-(8-chloroquinolin-6-yl)-4-oxo-1H-1,8-naphthyridin-3-yl]acetamide is sourced from PubChem (CID 155170914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).