N-[2,3-bis(4-chlorophenyl)-5,8-dimethoxyquinoxalin-6-yl]-N',N'-dimethylethane-1,2-diamine

C26H26Cl2N4O2 — CID 547654

IUPACN-[2,3-bis(4-chlorophenyl)-5,8-dimethoxyquinoxalin-6-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCOc1cc(NCCN(C)C)c(OC)c2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C26H26Cl2N4O2/c1-32(2)14-13-29-20-15-21(33-3)24-25(26(20)34-4)31-23(17-7-11-19(28)12-8-17)22(30-24)16-5-9-18(27)10-6-16/h5-12,15,29H,13-14H2,1-4H3
InChIKeyFPJFLCMZOYYTES-UHFFFAOYSA-N
MW497.43 g/mol
LogP6.26
Rot. Bonds8

About N-[2,3-bis(4-chlorophenyl)-5,8-dimethoxyquinoxalin-6-yl]-N',N'-dimethylethane-1,2-diamine

N-[2,3-bis(4-chlorophenyl)-5,8-dimethoxyquinoxalin-6-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 547654) has the molecular formula C26H26Cl2N4O2 and a molecular weight of 497.43 g/mol. Its IUPAC name is N-[2,3-bis(4-chlorophenyl)-5,8-dimethoxyquinoxalin-6-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[2,3-bis(4-chlorophenyl)-5,8-dimethoxyquinoxalin-6-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID547654
Molecular FormulaC26H26Cl2N4O2
Molecular Weight497.43 g/mol
Exact Mass496.14
IUPAC NameN-[2,3-bis(4-chlorophenyl)-5,8-dimethoxyquinoxalin-6-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCOc1cc(NCCN(C)C)c(OC)c2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C26H26Cl2N4O2/c1-32(2)14-13-29-20-15-21(33-3)24-25(26(20)34-4)31-23(17-7-11-19(28)12-8-17)22(30-24)16-5-9-18(27)10-6-16/h5-12,15,29H,13-14H2,1-4H3
InChIKeyFPJFLCMZOYYTES-UHFFFAOYSA-N
XLogP6.26
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.43
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2,3-bis(4-chlorophenyl)-5,8-dimethoxyquinoxalin-6-yl]-N',N'-dimethylethane-1,2-diamine with MolForge

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Related Compounds

4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N-hexyl-2-methoxybenzene-1,4-diamine
CID 10718939
methyl N-[4-[(3-chloro-5-methoxyacridin-9-yl)amino]-3-(methylamino)phenyl]carbamate
CID 13904975
Quinoxaline, 2,3-dibenzyl-5,8-dimethoxy-6-((2-(dimethylamino)ethyl)-
CID 547513
Quinoxaline, 5,8-dimethoxy-6-((2-(dimethylamino)ethyl)amino)-2,3-dimethyl-
CID 547586
N~3~-(5,8-Dimethoxy-2,3-dimethylquinoxalin-6-yl)-N~1~,N~1~-dimethylpropane-1,3-diamine
CID 547620
Quinoxaline, 5,8-dimethoxy-6-((3-(dimethylamino)propyl)amino)-2,3-diphenyl-
CID 547663
4-N-acridin-9-yl-1-N-[2-(diethylamino)ethyl]-2-methoxybenzene-1,4-diamine
CID 10597900
2,3-Bis[p-fluorostyryl]-5,8-dimethoxy-6-N-[gamma-dimethylamino-n-propyl]aminoquinoxaline
CID 5365288
7-chloro-N-(2,5-dimethoxyphenyl)-1,2,3,4-tetrahydroacridin-9-amine
CID 5323086
6-chloro-N-(2,5-dimethoxyphenyl)-1,2,3,4-tetrahydroacridin-9-amine
CID 5323114
2,3-Dibenzyl-5,8-dimethoxy-6-acetamidoquinoxaline
CID 538478
2,3-Diphenyl-5,8-dimethoxy-6-acetamidoquinoxaline
CID 541203

Frequently Asked Questions

What is the IUPAC name of N-[2,3-bis(4-chlorophenyl)-5,8-dimethoxyquinoxalin-6-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[2,3-bis(4-chlorophenyl)-5,8-dimethoxyquinoxalin-6-yl]-N',N'-dimethylethane-1,2-diamine (CID 547654) is N-[2,3-bis(4-chlorophenyl)-5,8-dimethoxyquinoxalin-6-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[2,3-bis(4-chlorophenyl)-5,8-dimethoxyquinoxalin-6-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[2,3-bis(4-chlorophenyl)-5,8-dimethoxyquinoxalin-6-yl]-N',N'-dimethylethane-1,2-diamine is COc1cc(NCCN(C)C)c(OC)c2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc12.
What is the InChIKey of N-[2,3-bis(4-chlorophenyl)-5,8-dimethoxyquinoxalin-6-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is FPJFLCMZOYYTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2N4O2/c1-32(2)14-13-29-20-15-21(33-3)24-25(26(20)34-4)31-23(17-7-11-19(28)12-8-17)22(30-24)16-5-9-18(27)10-6-16/h5-12,15,29H,13-14H2,1-4H3.
What are the key properties of N-[2,3-bis(4-chlorophenyl)-5,8-dimethoxyquinoxalin-6-yl]-N',N'-dimethylethane-1,2-diamine?
N-[2,3-bis(4-chlorophenyl)-5,8-dimethoxyquinoxalin-6-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 497.43 g/mol, XLogP of 6.26, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-bis(4-chlorophenyl)-5,8-dimethoxyquinoxalin-6-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 547654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).