N-methyl-N-[[9-(4-morpholin-4-ylbutyl)pyrido[3,4-b]indol-1-yl]methyl]-5-[1-[[4-morpholin-4-ylbutyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-9H-pyrido[3,4-b]indol-5-yl]-5,6,7,8-tetrahydroquinolin-8-amine

C59H70N10O2 — CID 143870658

IUPACN-methyl-N-[[9-(4-morpholin-4-ylbutyl)pyrido[3,4-b]indol-1-yl]methyl]-5-[1-[[4-morpholin-4-ylbutyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-9H-pyrido[3,4-b]indol-5-yl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN(Cc1nccc2c3ccccc3n(CCCCN3CCOCC3)c12)C1CCC(c2cccc3[nH]c4c(CN(CCCCN5CCOCC5)C5CCCc6cccnc65)nccc4c23)c2cccnc21
InChIInChI=1S/C59H70N10O2/c1-65(40-51-59-47(22-26-61-51)44-14-2-3-18-52(44)69(59)31-7-5-29-67-34-38-71-39-35-67)53-21-20-43(46-16-11-25-63-58(46)53)45-15-9-17-49-55(45)48-23-27-60-50(57(48)64-49)41-68(30-6-4-28-66-32-36-70-37-33-66)54-19-8-12-42-13-10-24-62-56(42)54/h2-3,9-11,13-18,22-27,43,53-54,64H,4-8,12,19-21,28-41H2,1H3
InChIKeyLFZDMADJSZEHRI-UHFFFAOYSA-N
MW951.28 g/mol
LogP10.21
Rot. Bonds17

About N-methyl-N-[[9-(4-morpholin-4-ylbutyl)pyrido[3,4-b]indol-1-yl]methyl]-5-[1-[[4-morpholin-4-ylbutyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-9H-pyrido[3,4-b]indol-5-yl]-5,6,7,8-tetrahydroquinolin-8-amine

N-methyl-N-[[9-(4-morpholin-4-ylbutyl)pyrido[3,4-b]indol-1-yl]methyl]-5-[1-[[4-morpholin-4-ylbutyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-9H-pyrido[3,4-b]indol-5-yl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 143870658) has the molecular formula C59H70N10O2 and a molecular weight of 951.28 g/mol. Its IUPAC name is N-methyl-N-[[9-(4-morpholin-4-ylbutyl)pyrido[3,4-b]indol-1-yl]methyl]-5-[1-[[4-morpholin-4-ylbutyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-9H-pyrido[3,4-b]indol-5-yl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-methyl-N-[[9-(4-morpholin-4-ylbutyl)pyrido[3,4-b]indol-1-yl]methyl]-5-[1-[[4-morpholin-4-ylbutyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-9H-pyrido[3,4-b]indol-5-yl]-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID143870658
Molecular FormulaC59H70N10O2
Molecular Weight951.28 g/mol
Exact Mass950.57
IUPAC NameN-methyl-N-[[9-(4-morpholin-4-ylbutyl)pyrido[3,4-b]indol-1-yl]methyl]-5-[1-[[4-morpholin-4-ylbutyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-9H-pyrido[3,4-b]indol-5-yl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN(Cc1nccc2c3ccccc3n(CCCCN3CCOCC3)c12)C1CCC(c2cccc3[nH]c4c(CN(CCCCN5CCOCC5)C5CCCc6cccnc65)nccc4c23)c2cccnc21
InChIInChI=1S/C59H70N10O2/c1-65(40-51-59-47(22-26-61-51)44-14-2-3-18-52(44)69(59)31-7-5-29-67-34-38-71-39-35-67)53-21-20-43(46-16-11-25-63-58(46)53)45-15-9-17-49-55(45)48-23-27-60-50(57(48)64-49)41-68(30-6-4-28-66-32-36-70-37-33-66)54-19-8-12-42-13-10-24-62-56(42)54/h2-3,9-11,13-18,22-27,43,53-54,64H,4-8,12,19-21,28-41H2,1H3
InChIKeyLFZDMADJSZEHRI-UHFFFAOYSA-N
XLogP10.21
TPSA103.70 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500951.28
LogP ≤ 510.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-methyl-N-[[9-(4-morpholin-4-ylbutyl)pyrido[3,4-b]indol-1-yl]methyl]-5-[1-[[4-morpholin-4-ylbutyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-9H-pyrido[3,4-b]indol-5-yl]-5,6,7,8-tetrahydroquinolin-8-amine with MolForge

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Launch Full Analysis

Related Compounds

Usambarensine
CID 5281413
(8S)-N-[[9-[2-(oxan-4-yl)ethyl]pyrido[3,4-b]indol-1-yl]methyl]-N-(3-piperazin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 59176553
(2R,3Z,12bS)-3-ethylidene-2-(9H-pyrido[3,4-b]indol-1-ylmethyl)-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizine
CID 5315138
2-[2-[2-[2-[2-(9H-pyrido[3,4-b]indol-2-ium-2-yl)ethoxy]ethoxy]ethoxy]ethyl]-9H-pyrido[3,4-b]indol-2-ium dibromide
CID 46222226
N'-[[9-[2-(oxan-4-yl)ethyl]pyrido[3,4-b]indol-1-yl]methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine
CID 44242668
4-(3,3-dimethyl-6-(4-morpholinyl)-2,3-dihydro-1H-pyrrolo[3,2-b]-pyridin-1-yl)-5,7-difluoro-2-(1H-indol-4-yl)-3-methylquinoline
CID 50939732
N'-[[9-(2-morpholin-4-ylethyl)pyrido[3,4-b]indol-1-yl]methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine
CID 59176372
(S)-2-(1-(((4-aminobutyl)(5,6,7,8-tetrahydroquinolin-8-yl)amino)methyl)-9H-pyrido[3,4-b]indol-9-yl)-1-morpholinoethanone
CID 59176381
1-morpholin-4-yl-2-[1-[[3-piperidin-4-ylpropyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone
CID 59176411
(S)-1-morpholino-2-(1(((3-(piperazin-1-yl)propyl)(5,6,7,8-tetrahydroquinolin-8-yl)amino)methyl)9H-pyrido[3,4-b]indol-9-yl)ethanone
CID 59176424
2-[1-[[3-(4-methylpiperazin-1-yl)propyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone
CID 59176438
2-[1-[[3-piperazin-1-ylpropyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanol
CID 59176449

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[9-(4-morpholin-4-ylbutyl)pyrido[3,4-b]indol-1-yl]methyl]-5-[1-[[4-morpholin-4-ylbutyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-9H-pyrido[3,4-b]indol-5-yl]-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-methyl-N-[[9-(4-morpholin-4-ylbutyl)pyrido[3,4-b]indol-1-yl]methyl]-5-[1-[[4-morpholin-4-ylbutyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-9H-pyrido[3,4-b]indol-5-yl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 143870658) is N-methyl-N-[[9-(4-morpholin-4-ylbutyl)pyrido[3,4-b]indol-1-yl]methyl]-5-[1-[[4-morpholin-4-ylbutyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-9H-pyrido[3,4-b]indol-5-yl]-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-methyl-N-[[9-(4-morpholin-4-ylbutyl)pyrido[3,4-b]indol-1-yl]methyl]-5-[1-[[4-morpholin-4-ylbutyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-9H-pyrido[3,4-b]indol-5-yl]-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-methyl-N-[[9-(4-morpholin-4-ylbutyl)pyrido[3,4-b]indol-1-yl]methyl]-5-[1-[[4-morpholin-4-ylbutyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-9H-pyrido[3,4-b]indol-5-yl]-5,6,7,8-tetrahydroquinolin-8-amine is CN(Cc1nccc2c3ccccc3n(CCCCN3CCOCC3)c12)C1CCC(c2cccc3[nH]c4c(CN(CCCCN5CCOCC5)C5CCCc6cccnc65)nccc4c23)c2cccnc21.
What is the InChIKey of N-methyl-N-[[9-(4-morpholin-4-ylbutyl)pyrido[3,4-b]indol-1-yl]methyl]-5-[1-[[4-morpholin-4-ylbutyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-9H-pyrido[3,4-b]indol-5-yl]-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is LFZDMADJSZEHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H70N10O2/c1-65(40-51-59-47(22-26-61-51)44-14-2-3-18-52(44)69(59)31-7-5-29-67-34-38-71-39-35-67)53-21-20-43(46-16-11-25-63-58(46)53)45-15-9-17-49-55(45)48-23-27-60-50(57(48)64-49)41-68(30-6-4-28-66-32-36-70-37-33-66)54-19-8-12-42-13-10-24-62-56(42)54/h2-3,9-11,13-18,22-27,43,53-54,64H,4-8,12,19-21,28-41H2,1H3.
What are the key properties of N-methyl-N-[[9-(4-morpholin-4-ylbutyl)pyrido[3,4-b]indol-1-yl]methyl]-5-[1-[[4-morpholin-4-ylbutyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-9H-pyrido[3,4-b]indol-5-yl]-5,6,7,8-tetrahydroquinolin-8-amine?
N-methyl-N-[[9-(4-morpholin-4-ylbutyl)pyrido[3,4-b]indol-1-yl]methyl]-5-[1-[[4-morpholin-4-ylbutyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-9H-pyrido[3,4-b]indol-5-yl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 951.28 g/mol, XLogP of 10.21, 17 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[9-(4-morpholin-4-ylbutyl)pyrido[3,4-b]indol-1-yl]methyl]-5-[1-[[4-morpholin-4-ylbutyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-9H-pyrido[3,4-b]indol-5-yl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 143870658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).