7-[3-[8-chloro-6-[2-[4-[8-chloro-6-(4-cyclopentylsulfanyl-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]phenyl]-7-oxo-5-phenylsulfanyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-5-methyl-3-methylsulfanyl-1H-1,8-naphthyridin-2-one

C82H54Cl3N9O3S3 — CID 155170927

IUPAC7-[3-[8-chloro-6-[2-[4-[8-chloro-6-(4-cyclopentylsulfanyl-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]phenyl]-7-oxo-5-phenylsulfanyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-5-methyl-3-methylsulfanyl-1H-1,8-naphthyridin-2-one
SMILESCSc1cc2c(C)c(-c3cc(Cl)c4ncccc4c3)c(-c3cccc(-c4cnc5c(Cl)cc(-c6cc7c(Sc8ccccc8)cc(=O)[nH]c7nc6-c6ccc(-c7cnc8c(Cl)cc(-c9c(-c%10ccccc%10)nc%10[nH]c(=O)ccc%10c9SC9CCCC9)cc8c7)cc6)cc5c4)c3)nc2[nH]c1=O
InChIInChI=1S/C82H54Cl3N9O3S3/c1-43-60-39-67(98-2)82(97)94-80(60)93-77(70(43)51-30-48-17-12-28-86-73(48)64(84)36-51)49-16-11-15-47(29-49)56-34-53-31-50(35-63(83)74(53)88-42-56)61-38-62-66(99-57-18-7-4-8-19-57)40-69(96)90-81(62)91-72(61)46-24-22-44(23-25-46)55-33-54-32-52(37-65(85)75(54)87-41-55)71-76(45-13-5-3-6-14-45)92-79-59(26-27-68(95)89-79)78(71)100-58-20-9-10-21-58/h3-8,11-19,22-42,58H,9-10,20-21H2,1-2H3,(H,89,92,95)(H,90,91,96)(H,93,94,97)
InChIKeyIDTMUUYGPMGKCI-UHFFFAOYSA-N
MW1415.95 g/mol
LogP21.55
Rot. Bonds13

About 7-[3-[8-chloro-6-[2-[4-[8-chloro-6-(4-cyclopentylsulfanyl-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]phenyl]-7-oxo-5-phenylsulfanyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-5-methyl-3-methylsulfanyl-1H-1,8-naphthyridin-2-one

7-[3-[8-chloro-6-[2-[4-[8-chloro-6-(4-cyclopentylsulfanyl-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]phenyl]-7-oxo-5-phenylsulfanyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-5-methyl-3-methylsulfanyl-1H-1,8-naphthyridin-2-one (PubChem CID 155170927) has the molecular formula C82H54Cl3N9O3S3 and a molecular weight of 1415.95 g/mol. Its IUPAC name is 7-[3-[8-chloro-6-[2-[4-[8-chloro-6-(4-cyclopentylsulfanyl-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]phenyl]-7-oxo-5-phenylsulfanyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-5-methyl-3-methylsulfanyl-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name7-[3-[8-chloro-6-[2-[4-[8-chloro-6-(4-cyclopentylsulfanyl-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]phenyl]-7-oxo-5-phenylsulfanyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-5-methyl-3-methylsulfanyl-1H-1,8-naphthyridin-2-one
PubChem CID155170927
Molecular FormulaC82H54Cl3N9O3S3
Molecular Weight1415.95 g/mol
Exact Mass1413.26
IUPAC Name7-[3-[8-chloro-6-[2-[4-[8-chloro-6-(4-cyclopentylsulfanyl-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]phenyl]-7-oxo-5-phenylsulfanyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-5-methyl-3-methylsulfanyl-1H-1,8-naphthyridin-2-one
SMILESCSc1cc2c(C)c(-c3cc(Cl)c4ncccc4c3)c(-c3cccc(-c4cnc5c(Cl)cc(-c6cc7c(Sc8ccccc8)cc(=O)[nH]c7nc6-c6ccc(-c7cnc8c(Cl)cc(-c9c(-c%10ccccc%10)nc%10[nH]c(=O)ccc%10c9SC9CCCC9)cc8c7)cc6)cc5c4)c3)nc2[nH]c1=O
InChIInChI=1S/C82H54Cl3N9O3S3/c1-43-60-39-67(98-2)82(97)94-80(60)93-77(70(43)51-30-48-17-12-28-86-73(48)64(84)36-51)49-16-11-15-47(29-49)56-34-53-31-50(35-63(83)74(53)88-42-56)61-38-62-66(99-57-18-7-4-8-19-57)40-69(96)90-81(62)91-72(61)46-24-22-44(23-25-46)55-33-54-32-52(37-65(85)75(54)87-41-55)71-76(45-13-5-3-6-14-45)92-79-59(26-27-68(95)89-79)78(71)100-58-20-9-10-21-58/h3-8,11-19,22-42,58H,9-10,20-21H2,1-2H3,(H,89,92,95)(H,90,91,96)(H,93,94,97)
InChIKeyIDTMUUYGPMGKCI-UHFFFAOYSA-N
XLogP21.55
TPSA175.92 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001415.95
LogP ≤ 521.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 7-[3-[8-chloro-6-[2-[4-[8-chloro-6-(4-cyclopentylsulfanyl-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]phenyl]-7-oxo-5-phenylsulfanyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-5-methyl-3-methylsulfanyl-1H-1,8-naphthyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[3-[8-chloro-6-[2-[4-[8-chloro-6-(4-cyclopentylsulfanyl-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]phenyl]-7-oxo-5-phenylsulfanyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-5-methyl-3-methylsulfanyl-1H-1,8-naphthyridin-2-one?
The IUPAC name of 7-[3-[8-chloro-6-[2-[4-[8-chloro-6-(4-cyclopentylsulfanyl-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]phenyl]-7-oxo-5-phenylsulfanyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-5-methyl-3-methylsulfanyl-1H-1,8-naphthyridin-2-one (CID 155170927) is 7-[3-[8-chloro-6-[2-[4-[8-chloro-6-(4-cyclopentylsulfanyl-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]phenyl]-7-oxo-5-phenylsulfanyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-5-methyl-3-methylsulfanyl-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 7-[3-[8-chloro-6-[2-[4-[8-chloro-6-(4-cyclopentylsulfanyl-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]phenyl]-7-oxo-5-phenylsulfanyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-5-methyl-3-methylsulfanyl-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 7-[3-[8-chloro-6-[2-[4-[8-chloro-6-(4-cyclopentylsulfanyl-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]phenyl]-7-oxo-5-phenylsulfanyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-5-methyl-3-methylsulfanyl-1H-1,8-naphthyridin-2-one is CSc1cc2c(C)c(-c3cc(Cl)c4ncccc4c3)c(-c3cccc(-c4cnc5c(Cl)cc(-c6cc7c(Sc8ccccc8)cc(=O)[nH]c7nc6-c6ccc(-c7cnc8c(Cl)cc(-c9c(-c%10ccccc%10)nc%10[nH]c(=O)ccc%10c9SC9CCCC9)cc8c7)cc6)cc5c4)c3)nc2[nH]c1=O.
What is the InChIKey of 7-[3-[8-chloro-6-[2-[4-[8-chloro-6-(4-cyclopentylsulfanyl-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]phenyl]-7-oxo-5-phenylsulfanyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-5-methyl-3-methylsulfanyl-1H-1,8-naphthyridin-2-one?
The InChIKey is IDTMUUYGPMGKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H54Cl3N9O3S3/c1-43-60-39-67(98-2)82(97)94-80(60)93-77(70(43)51-30-48-17-12-28-86-73(48)64(84)36-51)49-16-11-15-47(29-49)56-34-53-31-50(35-63(83)74(53)88-42-56)61-38-62-66(99-57-18-7-4-8-19-57)40-69(96)90-81(62)91-72(61)46-24-22-44(23-25-46)55-33-54-32-52(37-65(85)75(54)87-41-55)71-76(45-13-5-3-6-14-45)92-79-59(26-27-68(95)89-79)78(71)100-58-20-9-10-21-58/h3-8,11-19,22-42,58H,9-10,20-21H2,1-2H3,(H,89,92,95)(H,90,91,96)(H,93,94,97).
What are the key properties of 7-[3-[8-chloro-6-[2-[4-[8-chloro-6-(4-cyclopentylsulfanyl-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]phenyl]-7-oxo-5-phenylsulfanyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-5-methyl-3-methylsulfanyl-1H-1,8-naphthyridin-2-one?
7-[3-[8-chloro-6-[2-[4-[8-chloro-6-(4-cyclopentylsulfanyl-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]phenyl]-7-oxo-5-phenylsulfanyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-5-methyl-3-methylsulfanyl-1H-1,8-naphthyridin-2-one has a molecular weight of 1415.95 g/mol, XLogP of 21.55, 13 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[8-chloro-6-[2-[4-[8-chloro-6-(4-cyclopentylsulfanyl-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]phenyl]-7-oxo-5-phenylsulfanyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-5-methyl-3-methylsulfanyl-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 155170927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).