4-N-[4-(6-chloro-5-methoxy-1-methylindol-3-yl)-1,3,5-triazin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-(6-chloro-5-methoxy-1-methylindol-3-yl)-1,3,5-triazin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;methane;oxolane

C55H72Cl2N16O7 — CID 164961067

IUPAC4-N-[4-(6-chloro-5-methoxy-1-methylindol-3-yl)-1,3,5-triazin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-(6-chloro-5-methoxy-1-methylindol-3-yl)-1,3,5-triazin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;methane;oxolane
SMILESC.C1CCOC1.COc1cc2c(-c3ncnc(Nc4cc(N)c(N(C)CCN(C)C)cc4OC)n3)cn(C)c2cc1Cl.COc1cc2c(-c3ncnc(Nc4cc([N+](=O)[O-])c(N(C)CCN(C)C)cc4OC)n3)cn(C)c2cc1Cl
InChIInChI=1S/C25H29ClN8O4.C25H31ClN8O2.C4H8O.CH4/c1-31(2)7-8-32(3)20-12-23(38-6)18(11-21(20)34(35)36)29-25-28-14-27-24(30-25)16-13-33(4)19-10-17(26)22(37-5)9-15(16)19;1-32(2)7-8-33(3)21-12-23(36-6)19(11-18(21)27)30-25-29-14-28-24(31-25)16-13-34(4)20-10-17(26)22(35-5)9-15(16)20;1-2-4-5-3-1;/h9-14H,7-8H2,1-6H3,(H,27,28,29,30);9-14H,7-8,27H2,1-6H3,(H,28,29,30,31);1-4H2;1H4
InChIKeyBVOVPONYCAHWAG-UHFFFAOYSA-N
MW1140.19 g/mol
LogP9.81
Rot. Bonds19

About 4-N-[4-(6-chloro-5-methoxy-1-methylindol-3-yl)-1,3,5-triazin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-(6-chloro-5-methoxy-1-methylindol-3-yl)-1,3,5-triazin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;methane;oxolane

4-N-[4-(6-chloro-5-methoxy-1-methylindol-3-yl)-1,3,5-triazin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-(6-chloro-5-methoxy-1-methylindol-3-yl)-1,3,5-triazin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;methane;oxolane (PubChem CID 164961067) has the molecular formula C55H72Cl2N16O7 and a molecular weight of 1140.19 g/mol. Its IUPAC name is 4-N-[4-(6-chloro-5-methoxy-1-methylindol-3-yl)-1,3,5-triazin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-(6-chloro-5-methoxy-1-methylindol-3-yl)-1,3,5-triazin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;methane;oxolane.

Molecular Properties

Compound Name4-N-[4-(6-chloro-5-methoxy-1-methylindol-3-yl)-1,3,5-triazin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-(6-chloro-5-methoxy-1-methylindol-3-yl)-1,3,5-triazin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;methane;oxolane
PubChem CID164961067
Molecular FormulaC55H72Cl2N16O7
Molecular Weight1140.19 g/mol
Exact Mass1138.51
IUPAC Name4-N-[4-(6-chloro-5-methoxy-1-methylindol-3-yl)-1,3,5-triazin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-(6-chloro-5-methoxy-1-methylindol-3-yl)-1,3,5-triazin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;methane;oxolane
SMILESC.C1CCOC1.COc1cc2c(-c3ncnc(Nc4cc(N)c(N(C)CCN(C)C)cc4OC)n3)cn(C)c2cc1Cl.COc1cc2c(-c3ncnc(Nc4cc([N+](=O)[O-])c(N(C)CCN(C)C)cc4OC)n3)cn(C)c2cc1Cl
InChIInChI=1S/C25H29ClN8O4.C25H31ClN8O2.C4H8O.CH4/c1-31(2)7-8-32(3)20-12-23(38-6)18(11-21(20)34(35)36)29-25-28-14-27-24(30-25)16-13-33(4)19-10-17(26)22(37-5)9-15(16)19;1-32(2)7-8-33(3)21-12-23(36-6)19(11-18(21)27)30-25-29-14-28-24(31-25)16-13-34(4)20-10-17(26)22(35-5)9-15(16)20;1-2-4-5-3-1;/h9-14H,7-8H2,1-6H3,(H,27,28,29,30);9-14H,7-8,27H2,1-6H3,(H,28,29,30,31);1-4H2;1H4
InChIKeyBVOVPONYCAHWAG-UHFFFAOYSA-N
XLogP9.81
TPSA239.53 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds19
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001140.19
LogP ≤ 59.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-N-[4-(6-chloro-5-methoxy-1-methylindol-3-yl)-1,3,5-triazin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-(6-chloro-5-methoxy-1-methylindol-3-yl)-1,3,5-triazin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;methane;oxolane with MolForge

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Related Compounds

N-[5-[[4-(6-chloro-5-methoxy-1-methylindol-3-yl)-1,3,5-triazin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-[4-(6-chloro-5-methoxy-1-methylindol-3-yl)-1,3,5-triazin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;methane;prop-2-enoyl chloride
CID 165094093
N-[5-[[4-(6-chloro-5-methoxy-1-methylindol-3-yl)-1,3,5-triazin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]acetamide
CID 167100815
methyl 3-[2-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]-1-methylindole-5-carboxylate
CID 130217924
1-N-[2-(dimethylamino)ethyl]-4-N-[4-(5-fluoro-1-methylindol-3-yl)-1,3,5-triazin-2-yl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(5-fluoro-1-methylindol-3-yl)-1,3,5-triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;methane;prop-2-enoyl chloride
CID 165079893
N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(5-methoxy-1,6-dimethylindol-3-yl)-1,3,5-triazin-2-amine
CID 163918666
5-(difluoromethoxy)-1-N-[2-(dimethylamino)ethyl]-4-N-[4-(6-dimethylphosphoryl-1-methylindol-3-yl)pyrimidin-2-yl]-1-N-methylbenzene-1,2,4-triamine;2-(difluoromethoxy)-4-N-[2-(dimethylamino)ethyl]-1-N-[4-(6-dimethylphosphoryl-1-methylindol-3-yl)pyrimidin-2-yl]-4-N-methyl-5-nitrobenzene-1,4-diamine
CID 159077444
N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(1-methylindol-3-yl)-1,3,5-triazin-2-yl]amino]phenyl]formamide
CID 166917941
5-chloro-3-(4-chloro-1,3,5-triazin-2-yl)-1-methylindole;4-(5-chloro-1-methylindol-3-yl)-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;4-fluoro-2-methoxy-5-nitroaniline;methane
CID 165087595
4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-1-N-[4-(1-methylindol-3-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]-5-nitrobenzene-1,4-diamine
CID 168741090
1-N-[5-bromo-4-[1-(oxetan-3-yl)indol-3-yl]pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine
CID 155324470
methanol;5-methoxy-1-N-methyl-4-N-[4-(1-methylindol-3-yl)pyrimidin-2-yl]-1-N-[2-(3-methylpyrrolidin-1-yl)ethyl]benzene-1,2,4-triamine;2-methoxy-4-N-methyl-1-N-[4-(1-methylindol-3-yl)pyrimidin-2-yl]-4-N-[2-(3-methylpyrrolidin-1-yl)ethyl]-5-nitrobenzene-1,4-diamine
CID 158530932
2-chloro-4-N-[2-(dimethylamino)ethyl]-4-N-methyl-1-N-[4-(1-methylindol-3-yl)pyrimidin-2-yl]-5-nitrobenzene-1,4-diamine
CID 165389273

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(6-chloro-5-methoxy-1-methylindol-3-yl)-1,3,5-triazin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-(6-chloro-5-methoxy-1-methylindol-3-yl)-1,3,5-triazin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;methane;oxolane?
The IUPAC name of 4-N-[4-(6-chloro-5-methoxy-1-methylindol-3-yl)-1,3,5-triazin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-(6-chloro-5-methoxy-1-methylindol-3-yl)-1,3,5-triazin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;methane;oxolane (CID 164961067) is 4-N-[4-(6-chloro-5-methoxy-1-methylindol-3-yl)-1,3,5-triazin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-(6-chloro-5-methoxy-1-methylindol-3-yl)-1,3,5-triazin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;methane;oxolane.
What is the SMILES notation for 4-N-[4-(6-chloro-5-methoxy-1-methylindol-3-yl)-1,3,5-triazin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-(6-chloro-5-methoxy-1-methylindol-3-yl)-1,3,5-triazin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;methane;oxolane?
The canonical SMILES for 4-N-[4-(6-chloro-5-methoxy-1-methylindol-3-yl)-1,3,5-triazin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-(6-chloro-5-methoxy-1-methylindol-3-yl)-1,3,5-triazin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;methane;oxolane is C.C1CCOC1.COc1cc2c(-c3ncnc(Nc4cc(N)c(N(C)CCN(C)C)cc4OC)n3)cn(C)c2cc1Cl.COc1cc2c(-c3ncnc(Nc4cc([N+](=O)[O-])c(N(C)CCN(C)C)cc4OC)n3)cn(C)c2cc1Cl.
What is the InChIKey of 4-N-[4-(6-chloro-5-methoxy-1-methylindol-3-yl)-1,3,5-triazin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-(6-chloro-5-methoxy-1-methylindol-3-yl)-1,3,5-triazin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;methane;oxolane?
The InChIKey is BVOVPONYCAHWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN8O4.C25H31ClN8O2.C4H8O.CH4/c1-31(2)7-8-32(3)20-12-23(38-6)18(11-21(20)34(35)36)29-25-28-14-27-24(30-25)16-13-33(4)19-10-17(26)22(37-5)9-15(16)19;1-32(2)7-8-33(3)21-12-23(36-6)19(11-18(21)27)30-25-29-14-28-24(31-25)16-13-34(4)20-10-17(26)22(35-5)9-15(16)20;1-2-4-5-3-1;/h9-14H,7-8H2,1-6H3,(H,27,28,29,30);9-14H,7-8,27H2,1-6H3,(H,28,29,30,31);1-4H2;1H4.
What are the key properties of 4-N-[4-(6-chloro-5-methoxy-1-methylindol-3-yl)-1,3,5-triazin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-(6-chloro-5-methoxy-1-methylindol-3-yl)-1,3,5-triazin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;methane;oxolane?
4-N-[4-(6-chloro-5-methoxy-1-methylindol-3-yl)-1,3,5-triazin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-(6-chloro-5-methoxy-1-methylindol-3-yl)-1,3,5-triazin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;methane;oxolane has a molecular weight of 1140.19 g/mol, XLogP of 9.81, 19 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(6-chloro-5-methoxy-1-methylindol-3-yl)-1,3,5-triazin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-(6-chloro-5-methoxy-1-methylindol-3-yl)-1,3,5-triazin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;methane;oxolane is sourced from PubChem (CID 164961067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).