methyl 5-methyl-11-(4-methyl-1,4-diazepan-1-yl)indolo[2,3-b]quinoline-9-carboxylate

C24H26N4O2 — CID 71699396

IUPACmethyl 5-methyl-11-(4-methyl-1,4-diazepan-1-yl)indolo[2,3-b]quinoline-9-carboxylate
SMILESCOC(=O)c1ccc2nc3n(C)c4ccccc4c(N4CCCN(C)CC4)c-3c2c1
InChIInChI=1S/C24H26N4O2/c1-26-11-6-12-28(14-13-26)22-17-7-4-5-8-20(17)27(2)23-21(22)18-15-16(24(29)30-3)9-10-19(18)25-23/h4-5,7-10,15H,6,11-14H2,1-3H3
InChIKeyIBWGKANRTSDVBI-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.76
Rot. Bonds2

About methyl 5-methyl-11-(4-methyl-1,4-diazepan-1-yl)indolo[2,3-b]quinoline-9-carboxylate

methyl 5-methyl-11-(4-methyl-1,4-diazepan-1-yl)indolo[2,3-b]quinoline-9-carboxylate (PubChem CID 71699396) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is methyl 5-methyl-11-(4-methyl-1,4-diazepan-1-yl)indolo[2,3-b]quinoline-9-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-11-(4-methyl-1,4-diazepan-1-yl)indolo[2,3-b]quinoline-9-carboxylate
PubChem CID71699396
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Namemethyl 5-methyl-11-(4-methyl-1,4-diazepan-1-yl)indolo[2,3-b]quinoline-9-carboxylate
SMILESCOC(=O)c1ccc2nc3n(C)c4ccccc4c(N4CCCN(C)CC4)c-3c2c1
InChIInChI=1S/C24H26N4O2/c1-26-11-6-12-28(14-13-26)22-17-7-4-5-8-20(17)27(2)23-21(22)18-15-16(24(29)30-3)9-10-19(18)25-23/h4-5,7-10,15H,6,11-14H2,1-3H3
InChIKeyIBWGKANRTSDVBI-UHFFFAOYSA-N
XLogP3.76
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 5-methyl-11-(4-methyl-1,4-diazepan-1-yl)indolo[2,3-b]quinoline-9-carboxylate with MolForge

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Related Compounds

Methyl 9-[3-(4,6-dimethoxypyrimidin-2-yl)oxypropyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylate
CID 57392041
Methyl 4-amino-1-(2-aminoethyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate
CID 130276131
1,3-dimethyl-N-(4-methoxycarbonylphenyl)-1H-pyrazolo[3,4-b]quinolin-4-amine
CID 11674624
Methyl 9-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylate
CID 57390253
Methyl 9-[3-(4,6-dimethylpyrimidin-2-yl)oxypropyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylate
CID 57393761
Methyl 9-[3-[(4-methoxycarbonyl-6-methyl-pyrimidin-2-yl)amino]propyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylate
CID 57397330
Methyl 9-(3-purin-7-ylpropyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylate
CID 57397331
Methyl 9-[3-(4,6-diethylpyrimidin-2-yl)oxypropyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylate
CID 57399010
Methyl 9-[3-[(4,6-dimethoxypyrimidin-2-yl)-methyl-amino]propyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylate
CID 57400727
Methyl 9-[3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]propyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylate
CID 57402504
TLR7/8 agonist 6
CID 130289687
Methyl 4-amino-1-(5-aminopentyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate
CID 130289827

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-11-(4-methyl-1,4-diazepan-1-yl)indolo[2,3-b]quinoline-9-carboxylate?
The IUPAC name of methyl 5-methyl-11-(4-methyl-1,4-diazepan-1-yl)indolo[2,3-b]quinoline-9-carboxylate (CID 71699396) is methyl 5-methyl-11-(4-methyl-1,4-diazepan-1-yl)indolo[2,3-b]quinoline-9-carboxylate.
What is the SMILES notation for methyl 5-methyl-11-(4-methyl-1,4-diazepan-1-yl)indolo[2,3-b]quinoline-9-carboxylate?
The canonical SMILES for methyl 5-methyl-11-(4-methyl-1,4-diazepan-1-yl)indolo[2,3-b]quinoline-9-carboxylate is COC(=O)c1ccc2nc3n(C)c4ccccc4c(N4CCCN(C)CC4)c-3c2c1.
What is the InChIKey of methyl 5-methyl-11-(4-methyl-1,4-diazepan-1-yl)indolo[2,3-b]quinoline-9-carboxylate?
The InChIKey is IBWGKANRTSDVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-26-11-6-12-28(14-13-26)22-17-7-4-5-8-20(17)27(2)23-21(22)18-15-16(24(29)30-3)9-10-19(18)25-23/h4-5,7-10,15H,6,11-14H2,1-3H3.
What are the key properties of methyl 5-methyl-11-(4-methyl-1,4-diazepan-1-yl)indolo[2,3-b]quinoline-9-carboxylate?
methyl 5-methyl-11-(4-methyl-1,4-diazepan-1-yl)indolo[2,3-b]quinoline-9-carboxylate has a molecular weight of 402.50 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-11-(4-methyl-1,4-diazepan-1-yl)indolo[2,3-b]quinoline-9-carboxylate is sourced from PubChem (CID 71699396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).