N'-(2,6-dichloro-3,5-dimethoxyphenyl)-N,N-dimethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N'-(2,6-dichloro-3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1,5-dimethylpyrazol-4-yl)-N-propylquinoxalin-6-amine;2-[4-[7-(3,5-dimethoxy-N-propylanilino)quinoxalin-2-yl]-1-methylpyrazol-5-yl]ethanol;methane

C100H118Cl4N22O9 — CID 159814915

IUPACN'-(2,6-dichloro-3,5-dimethoxyphenyl)-N,N-dimethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N'-(2,6-dichloro-3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1,5-dimethylpyrazol-4-yl)-N-propylquinoxalin-6-amine;2-[4-[7-(3,5-dimethoxy-N-propylanilino)quinoxalin-2-yl]-1-methylpyrazol-5-yl]ethanol;methane
SMILESC.C.CCCN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(C)c3C)nc2c1.CCCN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(C)c3CCO)nc2c1.COc1cc(OC)c(Cl)c(N(CCN(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1Cl.COc1cc(OC)c(Cl)c(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1Cl
InChIInChI=1S/C25H28Cl2N6O2.C25H29N5O3.C24H26Cl2N6O2.C24H27N5O2.2CH4/c1-15(2)28-8-9-33(25-23(26)21(34-4)11-22(35-5)24(25)27)17-6-7-18-19(10-17)31-20(13-29-18)16-12-30-32(3)14-16;1-5-9-30(18-11-19(32-3)14-20(12-18)33-4)17-6-7-22-23(13-17)28-24(16-26-22)21-15-27-29(2)25(21)8-10-31;1-30(2)8-9-32(24-22(25)20(33-4)11-21(34-5)23(24)26)16-6-7-17-18(10-16)29-19(13-27-17)15-12-28-31(3)14-15;1-6-9-29(18-10-19(30-4)13-20(11-18)31-5)17-7-8-22-23(12-17)27-24(15-25-22)21-14-26-28(3)16(21)2;;/h6-7,10-15,28H,8-9H2,1-5H3;6-7,11-16,31H,5,8-10H2,1-4H3;6-7,10-14H,8-9H2,1-5H3;7-8,10-15H,6,9H2,1-5H3;2*1H4
InChIKeyNLMOWWDTVWJZBJ-UHFFFAOYSA-N
MW1914.00 g/mol
LogP20.85
Rot. Bonds33

About N'-(2,6-dichloro-3,5-dimethoxyphenyl)-N,N-dimethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N'-(2,6-dichloro-3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1,5-dimethylpyrazol-4-yl)-N-propylquinoxalin-6-amine;2-[4-[7-(3,5-dimethoxy-N-propylanilino)quinoxalin-2-yl]-1-methylpyrazol-5-yl]ethanol;methane

N'-(2,6-dichloro-3,5-dimethoxyphenyl)-N,N-dimethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N'-(2,6-dichloro-3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1,5-dimethylpyrazol-4-yl)-N-propylquinoxalin-6-amine;2-[4-[7-(3,5-dimethoxy-N-propylanilino)quinoxalin-2-yl]-1-methylpyrazol-5-yl]ethanol;methane (PubChem CID 159814915) has the molecular formula C100H118Cl4N22O9 and a molecular weight of 1914.00 g/mol. Its IUPAC name is N'-(2,6-dichloro-3,5-dimethoxyphenyl)-N,N-dimethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N'-(2,6-dichloro-3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1,5-dimethylpyrazol-4-yl)-N-propylquinoxalin-6-amine;2-[4-[7-(3,5-dimethoxy-N-propylanilino)quinoxalin-2-yl]-1-methylpyrazol-5-yl]ethanol;methane.

Molecular Properties

Compound NameN'-(2,6-dichloro-3,5-dimethoxyphenyl)-N,N-dimethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N'-(2,6-dichloro-3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1,5-dimethylpyrazol-4-yl)-N-propylquinoxalin-6-amine;2-[4-[7-(3,5-dimethoxy-N-propylanilino)quinoxalin-2-yl]-1-methylpyrazol-5-yl]ethanol;methane
PubChem CID159814915
Molecular FormulaC100H118Cl4N22O9
Molecular Weight1914.00 g/mol
Exact Mass1910.82
IUPAC NameN'-(2,6-dichloro-3,5-dimethoxyphenyl)-N,N-dimethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N'-(2,6-dichloro-3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1,5-dimethylpyrazol-4-yl)-N-propylquinoxalin-6-amine;2-[4-[7-(3,5-dimethoxy-N-propylanilino)quinoxalin-2-yl]-1-methylpyrazol-5-yl]ethanol;methane
SMILESC.C.CCCN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(C)c3C)nc2c1.CCCN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(C)c3CCO)nc2c1.COc1cc(OC)c(Cl)c(N(CCN(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1Cl.COc1cc(OC)c(Cl)c(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1Cl
InChIInChI=1S/C25H28Cl2N6O2.C25H29N5O3.C24H26Cl2N6O2.C24H27N5O2.2CH4/c1-15(2)28-8-9-33(25-23(26)21(34-4)11-22(35-5)24(25)27)17-6-7-18-19(10-17)31-20(13-29-18)16-12-30-32(3)14-16;1-5-9-30(18-11-19(32-3)14-20(12-18)33-4)17-6-7-22-23(13-17)28-24(16-26-22)21-15-27-29(2)25(21)8-10-31;1-30(2)8-9-32(24-22(25)20(33-4)11-21(34-5)23(24)26)16-6-7-17-18(10-16)29-19(13-27-17)15-12-28-31(3)14-15;1-6-9-29(18-10-19(30-4)13-20(11-18)31-5)17-7-8-22-23(12-17)27-24(15-25-22)21-14-26-28(3)16(21)2;;/h6-7,10-15,28H,8-9H2,1-5H3;6-7,11-16,31H,5,8-10H2,1-4H3;6-7,10-14H,8-9H2,1-5H3;7-8,10-15H,6,9H2,1-5H3;2*1H4
InChIKeyNLMOWWDTVWJZBJ-UHFFFAOYSA-N
XLogP20.85
TPSA296.70 Ų
H-Bond Donors2
H-Bond Acceptors31
Rotatable Bonds33
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001914.00
LogP ≤ 520.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1031

Analyze N'-(2,6-dichloro-3,5-dimethoxyphenyl)-N,N-dimethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N'-(2,6-dichloro-3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1,5-dimethylpyrazol-4-yl)-N-propylquinoxalin-6-amine;2-[4-[7-(3,5-dimethoxy-N-propylanilino)quinoxalin-2-yl]-1-methylpyrazol-5-yl]ethanol;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N'-(2,6-dichloro-3,5-dimethoxyphenyl)-N,N-dimethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N'-(2,6-dichloro-3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1,5-dimethylpyrazol-4-yl)-N-propylquinoxalin-6-amine;2-[4-[7-(3,5-dimethoxy-N-propylanilino)quinoxalin-2-yl]-1-methylpyrazol-5-yl]ethanol;methane?
The IUPAC name of N'-(2,6-dichloro-3,5-dimethoxyphenyl)-N,N-dimethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N'-(2,6-dichloro-3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1,5-dimethylpyrazol-4-yl)-N-propylquinoxalin-6-amine;2-[4-[7-(3,5-dimethoxy-N-propylanilino)quinoxalin-2-yl]-1-methylpyrazol-5-yl]ethanol;methane (CID 159814915) is N'-(2,6-dichloro-3,5-dimethoxyphenyl)-N,N-dimethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N'-(2,6-dichloro-3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1,5-dimethylpyrazol-4-yl)-N-propylquinoxalin-6-amine;2-[4-[7-(3,5-dimethoxy-N-propylanilino)quinoxalin-2-yl]-1-methylpyrazol-5-yl]ethanol;methane.
What is the SMILES notation for N'-(2,6-dichloro-3,5-dimethoxyphenyl)-N,N-dimethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N'-(2,6-dichloro-3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1,5-dimethylpyrazol-4-yl)-N-propylquinoxalin-6-amine;2-[4-[7-(3,5-dimethoxy-N-propylanilino)quinoxalin-2-yl]-1-methylpyrazol-5-yl]ethanol;methane?
The canonical SMILES for N'-(2,6-dichloro-3,5-dimethoxyphenyl)-N,N-dimethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N'-(2,6-dichloro-3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1,5-dimethylpyrazol-4-yl)-N-propylquinoxalin-6-amine;2-[4-[7-(3,5-dimethoxy-N-propylanilino)quinoxalin-2-yl]-1-methylpyrazol-5-yl]ethanol;methane is C.C.CCCN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(C)c3C)nc2c1.CCCN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(C)c3CCO)nc2c1.COc1cc(OC)c(Cl)c(N(CCN(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1Cl.COc1cc(OC)c(Cl)c(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1Cl.
What is the InChIKey of N'-(2,6-dichloro-3,5-dimethoxyphenyl)-N,N-dimethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N'-(2,6-dichloro-3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1,5-dimethylpyrazol-4-yl)-N-propylquinoxalin-6-amine;2-[4-[7-(3,5-dimethoxy-N-propylanilino)quinoxalin-2-yl]-1-methylpyrazol-5-yl]ethanol;methane?
The InChIKey is NLMOWWDTVWJZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28Cl2N6O2.C25H29N5O3.C24H26Cl2N6O2.C24H27N5O2.2CH4/c1-15(2)28-8-9-33(25-23(26)21(34-4)11-22(35-5)24(25)27)17-6-7-18-19(10-17)31-20(13-29-18)16-12-30-32(3)14-16;1-5-9-30(18-11-19(32-3)14-20(12-18)33-4)17-6-7-22-23(13-17)28-24(16-26-22)21-15-27-29(2)25(21)8-10-31;1-30(2)8-9-32(24-22(25)20(33-4)11-21(34-5)23(24)26)16-6-7-17-18(10-16)29-19(13-27-17)15-12-28-31(3)14-15;1-6-9-29(18-10-19(30-4)13-20(11-18)31-5)17-7-8-22-23(12-17)27-24(15-25-22)21-14-26-28(3)16(21)2;;/h6-7,10-15,28H,8-9H2,1-5H3;6-7,11-16,31H,5,8-10H2,1-4H3;6-7,10-14H,8-9H2,1-5H3;7-8,10-15H,6,9H2,1-5H3;2*1H4.
What are the key properties of N'-(2,6-dichloro-3,5-dimethoxyphenyl)-N,N-dimethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N'-(2,6-dichloro-3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1,5-dimethylpyrazol-4-yl)-N-propylquinoxalin-6-amine;2-[4-[7-(3,5-dimethoxy-N-propylanilino)quinoxalin-2-yl]-1-methylpyrazol-5-yl]ethanol;methane?
N'-(2,6-dichloro-3,5-dimethoxyphenyl)-N,N-dimethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N'-(2,6-dichloro-3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1,5-dimethylpyrazol-4-yl)-N-propylquinoxalin-6-amine;2-[4-[7-(3,5-dimethoxy-N-propylanilino)quinoxalin-2-yl]-1-methylpyrazol-5-yl]ethanol;methane has a molecular weight of 1914.00 g/mol, XLogP of 20.85, 33 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dichloro-3,5-dimethoxyphenyl)-N,N-dimethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N'-(2,6-dichloro-3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1,5-dimethylpyrazol-4-yl)-N-propylquinoxalin-6-amine;2-[4-[7-(3,5-dimethoxy-N-propylanilino)quinoxalin-2-yl]-1-methylpyrazol-5-yl]ethanol;methane is sourced from PubChem (CID 159814915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).