1-[2-[4-[4-(2-aminoquinoxalin-6-yl)phenoxy]-2-chloro-6-cyanophenoxy]cyclopropyl]-N-[6-[4-(3-chloro-5-cyano-4-cyclopropyloxyphenoxy)phenyl]quinoxalin-2-yl]-N-methylmethanesulfonamide

C50H36Cl2N8O6S — CID 169252203

IUPAC1-[2-[4-[4-(2-aminoquinoxalin-6-yl)phenoxy]-2-chloro-6-cyanophenoxy]cyclopropyl]-N-[6-[4-(3-chloro-5-cyano-4-cyclopropyloxyphenoxy)phenyl]quinoxalin-2-yl]-N-methylmethanesulfonamide
SMILESCN(c1cnc2cc(-c3ccc(Oc4cc(Cl)c(OC5CC5)c(C#N)c4)cc3)ccc2n1)S(=O)(=O)CC1CC1Oc1c(Cl)cc(Oc2ccc(-c3ccc4nc(N)cnc4c3)cc2)cc1C#N
InChIInChI=1S/C50H36Cl2N8O6S/c1-60(48-26-57-45-19-31(7-15-43(45)59-48)29-4-10-35(11-5-29)63-38-16-32(23-53)49(40(51)21-38)65-37-12-13-37)67(61,62)27-34-20-46(34)66-50-33(24-54)17-39(22-41(50)52)64-36-8-2-28(3-9-36)30-6-14-42-44(18-30)56-25-47(55)58-42/h2-11,14-19,21-22,25-26,34,37,46H,12-13,20,27H2,1H3,(H2,55,58)
InChIKeyIYUPFSROYXJTII-UHFFFAOYSA-N
MW947.86 g/mol
LogP10.90
Rot. Bonds14

About 1-[2-[4-[4-(2-aminoquinoxalin-6-yl)phenoxy]-2-chloro-6-cyanophenoxy]cyclopropyl]-N-[6-[4-(3-chloro-5-cyano-4-cyclopropyloxyphenoxy)phenyl]quinoxalin-2-yl]-N-methylmethanesulfonamide

1-[2-[4-[4-(2-aminoquinoxalin-6-yl)phenoxy]-2-chloro-6-cyanophenoxy]cyclopropyl]-N-[6-[4-(3-chloro-5-cyano-4-cyclopropyloxyphenoxy)phenyl]quinoxalin-2-yl]-N-methylmethanesulfonamide (PubChem CID 169252203) has the molecular formula C50H36Cl2N8O6S and a molecular weight of 947.86 g/mol. Its IUPAC name is 1-[2-[4-[4-(2-aminoquinoxalin-6-yl)phenoxy]-2-chloro-6-cyanophenoxy]cyclopropyl]-N-[6-[4-(3-chloro-5-cyano-4-cyclopropyloxyphenoxy)phenyl]quinoxalin-2-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-[2-[4-[4-(2-aminoquinoxalin-6-yl)phenoxy]-2-chloro-6-cyanophenoxy]cyclopropyl]-N-[6-[4-(3-chloro-5-cyano-4-cyclopropyloxyphenoxy)phenyl]quinoxalin-2-yl]-N-methylmethanesulfonamide
PubChem CID169252203
Molecular FormulaC50H36Cl2N8O6S
Molecular Weight947.86 g/mol
Exact Mass946.19
IUPAC Name1-[2-[4-[4-(2-aminoquinoxalin-6-yl)phenoxy]-2-chloro-6-cyanophenoxy]cyclopropyl]-N-[6-[4-(3-chloro-5-cyano-4-cyclopropyloxyphenoxy)phenyl]quinoxalin-2-yl]-N-methylmethanesulfonamide
SMILESCN(c1cnc2cc(-c3ccc(Oc4cc(Cl)c(OC5CC5)c(C#N)c4)cc3)ccc2n1)S(=O)(=O)CC1CC1Oc1c(Cl)cc(Oc2ccc(-c3ccc4nc(N)cnc4c3)cc2)cc1C#N
InChIInChI=1S/C50H36Cl2N8O6S/c1-60(48-26-57-45-19-31(7-15-43(45)59-48)29-4-10-35(11-5-29)63-38-16-32(23-53)49(40(51)21-38)65-37-12-13-37)67(61,62)27-34-20-46(34)66-50-33(24-54)17-39(22-41(50)52)64-36-8-2-28(3-9-36)30-6-14-42-44(18-30)56-25-47(55)58-42/h2-11,14-19,21-22,25-26,34,37,46H,12-13,20,27H2,1H3,(H2,55,58)
InChIKeyIYUPFSROYXJTII-UHFFFAOYSA-N
XLogP10.90
TPSA199.46 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500947.86
LogP ≤ 510.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 1-[2-[4-[4-(2-aminoquinoxalin-6-yl)phenoxy]-2-chloro-6-cyanophenoxy]cyclopropyl]-N-[6-[4-(3-chloro-5-cyano-4-cyclopropyloxyphenoxy)phenyl]quinoxalin-2-yl]-N-methylmethanesulfonamide 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 1-[2-[4-[4-(2-aminoquinoxalin-6-yl)phenoxy]-2-chloro-6-cyanophenoxy]cyclopropyl]-N-[6-[4-(3-chloro-5-cyano-4-cyclopropyloxyphenoxy)phenyl]quinoxalin-2-yl]-N-methylmethanesulfonamide?
The IUPAC name of 1-[2-[4-[4-(2-aminoquinoxalin-6-yl)phenoxy]-2-chloro-6-cyanophenoxy]cyclopropyl]-N-[6-[4-(3-chloro-5-cyano-4-cyclopropyloxyphenoxy)phenyl]quinoxalin-2-yl]-N-methylmethanesulfonamide (CID 169252203) is 1-[2-[4-[4-(2-aminoquinoxalin-6-yl)phenoxy]-2-chloro-6-cyanophenoxy]cyclopropyl]-N-[6-[4-(3-chloro-5-cyano-4-cyclopropyloxyphenoxy)phenyl]quinoxalin-2-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for 1-[2-[4-[4-(2-aminoquinoxalin-6-yl)phenoxy]-2-chloro-6-cyanophenoxy]cyclopropyl]-N-[6-[4-(3-chloro-5-cyano-4-cyclopropyloxyphenoxy)phenyl]quinoxalin-2-yl]-N-methylmethanesulfonamide?
The canonical SMILES for 1-[2-[4-[4-(2-aminoquinoxalin-6-yl)phenoxy]-2-chloro-6-cyanophenoxy]cyclopropyl]-N-[6-[4-(3-chloro-5-cyano-4-cyclopropyloxyphenoxy)phenyl]quinoxalin-2-yl]-N-methylmethanesulfonamide is CN(c1cnc2cc(-c3ccc(Oc4cc(Cl)c(OC5CC5)c(C#N)c4)cc3)ccc2n1)S(=O)(=O)CC1CC1Oc1c(Cl)cc(Oc2ccc(-c3ccc4nc(N)cnc4c3)cc2)cc1C#N.
What is the InChIKey of 1-[2-[4-[4-(2-aminoquinoxalin-6-yl)phenoxy]-2-chloro-6-cyanophenoxy]cyclopropyl]-N-[6-[4-(3-chloro-5-cyano-4-cyclopropyloxyphenoxy)phenyl]quinoxalin-2-yl]-N-methylmethanesulfonamide?
The InChIKey is IYUPFSROYXJTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36Cl2N8O6S/c1-60(48-26-57-45-19-31(7-15-43(45)59-48)29-4-10-35(11-5-29)63-38-16-32(23-53)49(40(51)21-38)65-37-12-13-37)67(61,62)27-34-20-46(34)66-50-33(24-54)17-39(22-41(50)52)64-36-8-2-28(3-9-36)30-6-14-42-44(18-30)56-25-47(55)58-42/h2-11,14-19,21-22,25-26,34,37,46H,12-13,20,27H2,1H3,(H2,55,58).
What are the key properties of 1-[2-[4-[4-(2-aminoquinoxalin-6-yl)phenoxy]-2-chloro-6-cyanophenoxy]cyclopropyl]-N-[6-[4-(3-chloro-5-cyano-4-cyclopropyloxyphenoxy)phenyl]quinoxalin-2-yl]-N-methylmethanesulfonamide?
1-[2-[4-[4-(2-aminoquinoxalin-6-yl)phenoxy]-2-chloro-6-cyanophenoxy]cyclopropyl]-N-[6-[4-(3-chloro-5-cyano-4-cyclopropyloxyphenoxy)phenyl]quinoxalin-2-yl]-N-methylmethanesulfonamide has a molecular weight of 947.86 g/mol, XLogP of 10.90, 14 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[4-(2-aminoquinoxalin-6-yl)phenoxy]-2-chloro-6-cyanophenoxy]cyclopropyl]-N-[6-[4-(3-chloro-5-cyano-4-cyclopropyloxyphenoxy)phenyl]quinoxalin-2-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 169252203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).