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

C59H46Cl2N10O4S — CID 155170932

IUPAC1-[7-[3-[8-chloro-6-[6-[(4-methylpiperazin-1-yl)methyl]-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-2-oxo-1H-1,8-naphthyridin-3-yl]-N-(6-methyl-3-pyridinyl)methanesulfonamide
SMILESCc1ccc(NS(=O)(=O)Cc2cc3cc(-c4cc(Cl)c5ncccc5c4)c(-c4cccc(-c5cnc6c(Cl)cc(-c7cc8cc(CN9CCN(C)CC9)c(=O)[nH]c8nc7-c7ccccc7)cc6c5)c4)nc3[nH]c2=O)cn1
InChIInChI=1S/C59H46Cl2N10O4S/c1-34-13-14-47(31-63-34)69-76(74,75)33-46-25-43-27-49(39-21-38-12-7-15-62-54(38)50(60)28-39)53(66-57(43)68-59(46)73)37-11-6-10-36(20-37)44-23-41-22-40(29-51(61)55(41)64-30-44)48-26-42-24-45(32-71-18-16-70(2)17-19-71)58(72)67-56(42)65-52(48)35-8-4-3-5-9-35/h3-15,20-31,69H,16-19,32-33H2,1-2H3,(H,65,67,72)(H,66,68,73)
InChIKeyZUHVIBZFOGHNLA-UHFFFAOYSA-N
MW1062.06 g/mol
LogP11.29
Rot. Bonds11

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

1-[7-[3-[8-chloro-6-[6-[(4-methylpiperazin-1-yl)methyl]-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-2-oxo-1H-1,8-naphthyridin-3-yl]-N-(6-methyl-3-pyridinyl)methanesulfonamide (PubChem CID 155170932) has the molecular formula C59H46Cl2N10O4S and a molecular weight of 1062.06 g/mol. Its IUPAC name is 1-[7-[3-[8-chloro-6-[6-[(4-methylpiperazin-1-yl)methyl]-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-2-oxo-1H-1,8-naphthyridin-3-yl]-N-(6-methyl-3-pyridinyl)methanesulfonamide.

Molecular Properties

Compound Name1-[7-[3-[8-chloro-6-[6-[(4-methylpiperazin-1-yl)methyl]-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-2-oxo-1H-1,8-naphthyridin-3-yl]-N-(6-methyl-3-pyridinyl)methanesulfonamide
PubChem CID155170932
Molecular FormulaC59H46Cl2N10O4S
Molecular Weight1062.06 g/mol
Exact Mass1060.28
IUPAC Name1-[7-[3-[8-chloro-6-[6-[(4-methylpiperazin-1-yl)methyl]-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-2-oxo-1H-1,8-naphthyridin-3-yl]-N-(6-methyl-3-pyridinyl)methanesulfonamide
SMILESCc1ccc(NS(=O)(=O)Cc2cc3cc(-c4cc(Cl)c5ncccc5c4)c(-c4cccc(-c5cnc6c(Cl)cc(-c7cc8cc(CN9CCN(C)CC9)c(=O)[nH]c8nc7-c7ccccc7)cc6c5)c4)nc3[nH]c2=O)cn1
InChIInChI=1S/C59H46Cl2N10O4S/c1-34-13-14-47(31-63-34)69-76(74,75)33-46-25-43-27-49(39-21-38-12-7-15-62-54(38)50(60)28-39)53(66-57(43)68-59(46)73)37-11-6-10-36(20-37)44-23-41-22-40(29-51(61)55(41)64-30-44)48-26-42-24-45(32-71-18-16-70(2)17-19-71)58(72)67-56(42)65-52(48)35-8-4-3-5-9-35/h3-15,20-31,69H,16-19,32-33H2,1-2H3,(H,65,67,72)(H,66,68,73)
InChIKeyZUHVIBZFOGHNLA-UHFFFAOYSA-N
XLogP11.29
TPSA182.82 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001062.06
LogP ≤ 511.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 1-[7-[3-[8-chloro-6-[6-[(4-methylpiperazin-1-yl)methyl]-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-2-oxo-1H-1,8-naphthyridin-3-yl]-N-(6-methyl-3-pyridinyl)methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[7-[3-[8-chloro-6-[6-[(4-methylpiperazin-1-yl)methyl]-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-2-oxo-1H-1,8-naphthyridin-3-yl]-N-(6-methyl-3-pyridinyl)methanesulfonamide?
The IUPAC name of 1-[7-[3-[8-chloro-6-[6-[(4-methylpiperazin-1-yl)methyl]-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-2-oxo-1H-1,8-naphthyridin-3-yl]-N-(6-methyl-3-pyridinyl)methanesulfonamide (CID 155170932) is 1-[7-[3-[8-chloro-6-[6-[(4-methylpiperazin-1-yl)methyl]-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-2-oxo-1H-1,8-naphthyridin-3-yl]-N-(6-methyl-3-pyridinyl)methanesulfonamide.
What is the SMILES notation for 1-[7-[3-[8-chloro-6-[6-[(4-methylpiperazin-1-yl)methyl]-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-2-oxo-1H-1,8-naphthyridin-3-yl]-N-(6-methyl-3-pyridinyl)methanesulfonamide?
The canonical SMILES for 1-[7-[3-[8-chloro-6-[6-[(4-methylpiperazin-1-yl)methyl]-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-2-oxo-1H-1,8-naphthyridin-3-yl]-N-(6-methyl-3-pyridinyl)methanesulfonamide is Cc1ccc(NS(=O)(=O)Cc2cc3cc(-c4cc(Cl)c5ncccc5c4)c(-c4cccc(-c5cnc6c(Cl)cc(-c7cc8cc(CN9CCN(C)CC9)c(=O)[nH]c8nc7-c7ccccc7)cc6c5)c4)nc3[nH]c2=O)cn1.
What is the InChIKey of 1-[7-[3-[8-chloro-6-[6-[(4-methylpiperazin-1-yl)methyl]-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-2-oxo-1H-1,8-naphthyridin-3-yl]-N-(6-methyl-3-pyridinyl)methanesulfonamide?
The InChIKey is ZUHVIBZFOGHNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H46Cl2N10O4S/c1-34-13-14-47(31-63-34)69-76(74,75)33-46-25-43-27-49(39-21-38-12-7-15-62-54(38)50(60)28-39)53(66-57(43)68-59(46)73)37-11-6-10-36(20-37)44-23-41-22-40(29-51(61)55(41)64-30-44)48-26-42-24-45(32-71-18-16-70(2)17-19-71)58(72)67-56(42)65-52(48)35-8-4-3-5-9-35/h3-15,20-31,69H,16-19,32-33H2,1-2H3,(H,65,67,72)(H,66,68,73).
What are the key properties of 1-[7-[3-[8-chloro-6-[6-[(4-methylpiperazin-1-yl)methyl]-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-2-oxo-1H-1,8-naphthyridin-3-yl]-N-(6-methyl-3-pyridinyl)methanesulfonamide?
1-[7-[3-[8-chloro-6-[6-[(4-methylpiperazin-1-yl)methyl]-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-2-oxo-1H-1,8-naphthyridin-3-yl]-N-(6-methyl-3-pyridinyl)methanesulfonamide has a molecular weight of 1062.06 g/mol, XLogP of 11.29, 11 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[3-[8-chloro-6-[6-[(4-methylpiperazin-1-yl)methyl]-7-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-6-(8-chloroquinolin-6-yl)-2-oxo-1H-1,8-naphthyridin-3-yl]-N-(6-methyl-3-pyridinyl)methanesulfonamide is sourced from PubChem (CID 155170932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).