N-[6-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-5-oxo-6-[[6-(trifluoromethyl)-3-pyridinyl]methylsulfinylamino]-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-4-methoxybenzenesulfonamide

C60H38Cl2F3N9O6S2 — CID 155170976

IUPACN-[6-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-5-oxo-6-[[6-(trifluoromethyl)-3-pyridinyl]methylsulfinylamino]-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(=O)c3cc(-c4cc(Cl)c5ncc(-c6cccc(-c7nc8[nH]cc(NS(=O)Cc9ccc(C(F)(F)F)nc9)c(=O)c8cc7-c7cc(Cl)c8ncccc8c7)c6)cc5c4)c(-c4ccccc4)nc3[nH]2)cc1
InChIInChI=1S/C60H38Cl2F3N9O6S2/c1-80-41-13-15-42(16-14-41)82(78,79)74-52-27-50(75)45-25-43(53(72-59(45)70-52)33-7-3-2-4-8-33)38-21-39-22-40(29-68-56(39)48(62)24-38)34-9-5-10-35(19-34)54-44(37-20-36-11-6-18-66-55(36)47(61)23-37)26-46-57(76)49(30-69-58(46)71-54)73-81(77)31-32-12-17-51(67-28-32)60(63,64)65/h2-30,73H,31H2,1H3,(H,69,71,76)(H2,70,72,74,75)
InChIKeyALQFJEGNGFCYSA-UHFFFAOYSA-N
MW1173.05 g/mol
LogP13.40
Rot. Bonds13

About N-[6-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-5-oxo-6-[[6-(trifluoromethyl)-3-pyridinyl]methylsulfinylamino]-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-4-methoxybenzenesulfonamide

N-[6-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-5-oxo-6-[[6-(trifluoromethyl)-3-pyridinyl]methylsulfinylamino]-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-4-methoxybenzenesulfonamide (PubChem CID 155170976) has the molecular formula C60H38Cl2F3N9O6S2 and a molecular weight of 1173.05 g/mol. Its IUPAC name is N-[6-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-5-oxo-6-[[6-(trifluoromethyl)-3-pyridinyl]methylsulfinylamino]-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[6-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-5-oxo-6-[[6-(trifluoromethyl)-3-pyridinyl]methylsulfinylamino]-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-4-methoxybenzenesulfonamide
PubChem CID155170976
Molecular FormulaC60H38Cl2F3N9O6S2
Molecular Weight1173.05 g/mol
Exact Mass1171.17
IUPAC NameN-[6-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-5-oxo-6-[[6-(trifluoromethyl)-3-pyridinyl]methylsulfinylamino]-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(=O)c3cc(-c4cc(Cl)c5ncc(-c6cccc(-c7nc8[nH]cc(NS(=O)Cc9ccc(C(F)(F)F)nc9)c(=O)c8cc7-c7cc(Cl)c8ncccc8c7)c6)cc5c4)c(-c4ccccc4)nc3[nH]2)cc1
InChIInChI=1S/C60H38Cl2F3N9O6S2/c1-80-41-13-15-42(16-14-41)82(78,79)74-52-27-50(75)45-25-43(53(72-59(45)70-52)33-7-3-2-4-8-33)38-21-39-22-40(29-68-56(39)48(62)24-38)34-9-5-10-35(19-34)54-44(37-20-36-11-6-18-66-55(36)47(61)23-37)26-46-57(76)49(30-69-58(46)71-54)73-81(77)31-32-12-17-51(67-28-32)60(63,64)65/h2-30,73H,31H2,1H3,(H,69,71,76)(H2,70,72,74,75)
InChIKeyALQFJEGNGFCYSA-UHFFFAOYSA-N
XLogP13.40
TPSA214.67 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001173.05
LogP ≤ 513.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze N-[6-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-5-oxo-6-[[6-(trifluoromethyl)-3-pyridinyl]methylsulfinylamino]-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-4-methoxybenzenesulfonamide 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-[6-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-5-oxo-6-[[6-(trifluoromethyl)-3-pyridinyl]methylsulfinylamino]-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[6-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-5-oxo-6-[[6-(trifluoromethyl)-3-pyridinyl]methylsulfinylamino]-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-4-methoxybenzenesulfonamide (CID 155170976) is N-[6-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-5-oxo-6-[[6-(trifluoromethyl)-3-pyridinyl]methylsulfinylamino]-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[6-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-5-oxo-6-[[6-(trifluoromethyl)-3-pyridinyl]methylsulfinylamino]-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[6-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-5-oxo-6-[[6-(trifluoromethyl)-3-pyridinyl]methylsulfinylamino]-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc(=O)c3cc(-c4cc(Cl)c5ncc(-c6cccc(-c7nc8[nH]cc(NS(=O)Cc9ccc(C(F)(F)F)nc9)c(=O)c8cc7-c7cc(Cl)c8ncccc8c7)c6)cc5c4)c(-c4ccccc4)nc3[nH]2)cc1.
What is the InChIKey of N-[6-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-5-oxo-6-[[6-(trifluoromethyl)-3-pyridinyl]methylsulfinylamino]-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-4-methoxybenzenesulfonamide?
The InChIKey is ALQFJEGNGFCYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38Cl2F3N9O6S2/c1-80-41-13-15-42(16-14-41)82(78,79)74-52-27-50(75)45-25-43(53(72-59(45)70-52)33-7-3-2-4-8-33)38-21-39-22-40(29-68-56(39)48(62)24-38)34-9-5-10-35(19-34)54-44(37-20-36-11-6-18-66-55(36)47(61)23-37)26-46-57(76)49(30-69-58(46)71-54)73-81(77)31-32-12-17-51(67-28-32)60(63,64)65/h2-30,73H,31H2,1H3,(H,69,71,76)(H2,70,72,74,75).
What are the key properties of N-[6-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-5-oxo-6-[[6-(trifluoromethyl)-3-pyridinyl]methylsulfinylamino]-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-4-methoxybenzenesulfonamide?
N-[6-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-5-oxo-6-[[6-(trifluoromethyl)-3-pyridinyl]methylsulfinylamino]-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-4-methoxybenzenesulfonamide has a molecular weight of 1173.05 g/mol, XLogP of 13.40, 13 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[8-chloro-3-[3-[3-(8-chloroquinolin-6-yl)-5-oxo-6-[[6-(trifluoromethyl)-3-pyridinyl]methylsulfinylamino]-8H-1,8-naphthyridin-2-yl]phenyl]quinolin-6-yl]-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 155170976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).