methyl 2-[5-[5-[6-[(2-methylpropan-2-yl)oxycarbonyl]indolo[2,3-b]quinoxalin-2-yl]thiophen-2-yl]thiophen-2-yl]indolo[2,3-b]quinoxaline-6-carboxylate

C43H30N6O4S2 — CID 177453410

IUPACmethyl 2-[5-[5-[6-[(2-methylpropan-2-yl)oxycarbonyl]indolo[2,3-b]quinoxalin-2-yl]thiophen-2-yl]thiophen-2-yl]indolo[2,3-b]quinoxaline-6-carboxylate
SMILESCOC(=O)n1c2ccccc2c2nc3cc(-c4ccc(-c5ccc(-c6ccc7nc8c(nc7c6)c6ccccc6n8C(=O)OC(C)(C)C)s5)s4)ccc3nc21
InChIInChI=1S/C43H30N6O4S2/c1-43(2,3)53-42(51)49-32-12-8-6-10-26(32)38-40(49)47-28-16-14-24(22-30(28)45-38)34-18-20-36(55-34)35-19-17-33(54-35)23-13-15-27-29(21-23)44-37-25-9-5-7-11-31(25)48(39(37)46-27)41(50)52-4/h5-22H,1-4H3
InChIKeyZZKVICYNGSNSOB-UHFFFAOYSA-N
MW758.89 g/mol
LogP11.31
Rot. Bonds3

About methyl 2-[5-[5-[6-[(2-methylpropan-2-yl)oxycarbonyl]indolo[2,3-b]quinoxalin-2-yl]thiophen-2-yl]thiophen-2-yl]indolo[2,3-b]quinoxaline-6-carboxylate

methyl 2-[5-[5-[6-[(2-methylpropan-2-yl)oxycarbonyl]indolo[2,3-b]quinoxalin-2-yl]thiophen-2-yl]thiophen-2-yl]indolo[2,3-b]quinoxaline-6-carboxylate (PubChem CID 177453410) has the molecular formula C43H30N6O4S2 and a molecular weight of 758.89 g/mol. Its IUPAC name is methyl 2-[5-[5-[6-[(2-methylpropan-2-yl)oxycarbonyl]indolo[2,3-b]quinoxalin-2-yl]thiophen-2-yl]thiophen-2-yl]indolo[2,3-b]quinoxaline-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-[5-[5-[6-[(2-methylpropan-2-yl)oxycarbonyl]indolo[2,3-b]quinoxalin-2-yl]thiophen-2-yl]thiophen-2-yl]indolo[2,3-b]quinoxaline-6-carboxylate
PubChem CID177453410
Molecular FormulaC43H30N6O4S2
Molecular Weight758.89 g/mol
Exact Mass758.18
IUPAC Namemethyl 2-[5-[5-[6-[(2-methylpropan-2-yl)oxycarbonyl]indolo[2,3-b]quinoxalin-2-yl]thiophen-2-yl]thiophen-2-yl]indolo[2,3-b]quinoxaline-6-carboxylate
SMILESCOC(=O)n1c2ccccc2c2nc3cc(-c4ccc(-c5ccc(-c6ccc7nc8c(nc7c6)c6ccccc6n8C(=O)OC(C)(C)C)s5)s4)ccc3nc21
InChIInChI=1S/C43H30N6O4S2/c1-43(2,3)53-42(51)49-32-12-8-6-10-26(32)38-40(49)47-28-16-14-24(22-30(28)45-38)34-18-20-36(55-34)35-19-17-33(54-35)23-13-15-27-29(21-23)44-37-25-9-5-7-11-31(25)48(39(37)46-27)41(50)52-4/h5-22H,1-4H3
InChIKeyZZKVICYNGSNSOB-UHFFFAOYSA-N
XLogP11.31
TPSA114.02 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500758.89
LogP ≤ 511.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze methyl 2-[5-[5-[6-[(2-methylpropan-2-yl)oxycarbonyl]indolo[2,3-b]quinoxalin-2-yl]thiophen-2-yl]thiophen-2-yl]indolo[2,3-b]quinoxaline-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2,10,12-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-10-carboxylate
CID 122202526
tert-butyl pyrido[2,3-b]indole-9-carboxylate
CID 141177264
tert-butyl 2-oxo-4-phenylquinazoline-1-carboxylate
CID 84819280
tert-butyl 2-(2-methoxy-2-oxoethyl)benzimidazole-1-carboxylate
CID 129052197
tert-butyl 3-(2-methoxy-2-oxoethyl)-2-methylindole-1-carboxylate
CID 118368388
1-(4-methoxyphenyl)-9-[(2-methylpropan-2-yl)oxycarbonyl]pyrido[3,4-b]indole-3-carboxylic acid
CID 141337724
tert-butyl 1,3-dimethyl-4-phenylpyrido[3,4-b]indole-9-carboxylate
CID 53468109
tert-butyl 2,3-dichloroindole-1-carboxylate
CID 122227437
9-O-tert-butyl 4-O-methyl carbazole-4,9-dicarboxylate
CID 132516778
tert-butyl 2,6-dimethylbenzimidazole-1-carboxylate
CID 143547748
tert-butyl 3-methyl-2-[2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]ethenyl]indole-1-carboxylate
CID 162263594
tert-butyl 3-hexylpyrido[3,4-b]indole-9-carboxylate
CID 135059896

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[5-[6-[(2-methylpropan-2-yl)oxycarbonyl]indolo[2,3-b]quinoxalin-2-yl]thiophen-2-yl]thiophen-2-yl]indolo[2,3-b]quinoxaline-6-carboxylate?
The IUPAC name of methyl 2-[5-[5-[6-[(2-methylpropan-2-yl)oxycarbonyl]indolo[2,3-b]quinoxalin-2-yl]thiophen-2-yl]thiophen-2-yl]indolo[2,3-b]quinoxaline-6-carboxylate (CID 177453410) is methyl 2-[5-[5-[6-[(2-methylpropan-2-yl)oxycarbonyl]indolo[2,3-b]quinoxalin-2-yl]thiophen-2-yl]thiophen-2-yl]indolo[2,3-b]quinoxaline-6-carboxylate.
What is the SMILES notation for methyl 2-[5-[5-[6-[(2-methylpropan-2-yl)oxycarbonyl]indolo[2,3-b]quinoxalin-2-yl]thiophen-2-yl]thiophen-2-yl]indolo[2,3-b]quinoxaline-6-carboxylate?
The canonical SMILES for methyl 2-[5-[5-[6-[(2-methylpropan-2-yl)oxycarbonyl]indolo[2,3-b]quinoxalin-2-yl]thiophen-2-yl]thiophen-2-yl]indolo[2,3-b]quinoxaline-6-carboxylate is COC(=O)n1c2ccccc2c2nc3cc(-c4ccc(-c5ccc(-c6ccc7nc8c(nc7c6)c6ccccc6n8C(=O)OC(C)(C)C)s5)s4)ccc3nc21.
What is the InChIKey of methyl 2-[5-[5-[6-[(2-methylpropan-2-yl)oxycarbonyl]indolo[2,3-b]quinoxalin-2-yl]thiophen-2-yl]thiophen-2-yl]indolo[2,3-b]quinoxaline-6-carboxylate?
The InChIKey is ZZKVICYNGSNSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N6O4S2/c1-43(2,3)53-42(51)49-32-12-8-6-10-26(32)38-40(49)47-28-16-14-24(22-30(28)45-38)34-18-20-36(55-34)35-19-17-33(54-35)23-13-15-27-29(21-23)44-37-25-9-5-7-11-31(25)48(39(37)46-27)41(50)52-4/h5-22H,1-4H3.
What are the key properties of methyl 2-[5-[5-[6-[(2-methylpropan-2-yl)oxycarbonyl]indolo[2,3-b]quinoxalin-2-yl]thiophen-2-yl]thiophen-2-yl]indolo[2,3-b]quinoxaline-6-carboxylate?
methyl 2-[5-[5-[6-[(2-methylpropan-2-yl)oxycarbonyl]indolo[2,3-b]quinoxalin-2-yl]thiophen-2-yl]thiophen-2-yl]indolo[2,3-b]quinoxaline-6-carboxylate has a molecular weight of 758.89 g/mol, XLogP of 11.31, 3 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[5-[6-[(2-methylpropan-2-yl)oxycarbonyl]indolo[2,3-b]quinoxalin-2-yl]thiophen-2-yl]thiophen-2-yl]indolo[2,3-b]quinoxaline-6-carboxylate is sourced from PubChem (CID 177453410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).