2-methoxy-5-[1-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-3-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propan-2-yl]phenol;[2-methoxy-4-[1-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-3-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propan-2-yl]phenyl] acetate

C70H70N8O7 — CID 163442593

IUPAC2-methoxy-5-[1-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-3-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propan-2-yl]phenol;[2-methoxy-4-[1-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-3-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propan-2-yl]phenyl] acetate
SMILESCOc1ccc2c3c([nH]c2c1)C(CC(CC1=NCCc2c1[nH]c1cc(C)ccc21)c1ccc(OC(C)=O)c(OC)c1)=NCC3.COc1ccc2c3c([nH]c2c1)C(CC(CC1=NCCc2c1[nH]c1cc(C)ccc21)c1ccc(OC)c(O)c1)=NCC3
InChIInChI=1S/C36H36N4O4.C34H34N4O3/c1-20-5-8-25-27-11-13-37-31(35(27)39-29(25)15-20)16-23(22-6-10-33(44-21(2)41)34(18-22)43-4)17-32-36-28(12-14-38-32)26-9-7-24(42-3)19-30(26)40-36;1-19-4-7-23-25-10-12-35-29(33(25)37-27(23)14-19)15-21(20-5-9-32(41-3)31(39)17-20)16-30-34-26(11-13-36-30)24-8-6-22(40-2)18-28(24)38-34/h5-10,15,18-19,23,39-40H,11-14,16-17H2,1-4H3;4-9,14,17-18,21,37-39H,10-13,15-16H2,1-3H3
InChIKeyAZTYBWWEQNLTPG-UHFFFAOYSA-N
MW1135.38 g/mol
LogP13.49
Rot. Bonds15

About 2-methoxy-5-[1-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-3-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propan-2-yl]phenol;[2-methoxy-4-[1-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-3-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propan-2-yl]phenyl] acetate

2-methoxy-5-[1-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-3-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propan-2-yl]phenol;[2-methoxy-4-[1-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-3-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propan-2-yl]phenyl] acetate (PubChem CID 163442593) has the molecular formula C70H70N8O7 and a molecular weight of 1135.38 g/mol. Its IUPAC name is 2-methoxy-5-[1-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-3-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propan-2-yl]phenol;[2-methoxy-4-[1-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-3-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propan-2-yl]phenyl] acetate.

Molecular Properties

Compound Name2-methoxy-5-[1-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-3-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propan-2-yl]phenol;[2-methoxy-4-[1-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-3-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propan-2-yl]phenyl] acetate
PubChem CID163442593
Molecular FormulaC70H70N8O7
Molecular Weight1135.38 g/mol
Exact Mass1134.54
IUPAC Name2-methoxy-5-[1-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-3-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propan-2-yl]phenol;[2-methoxy-4-[1-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-3-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propan-2-yl]phenyl] acetate
SMILESCOc1ccc2c3c([nH]c2c1)C(CC(CC1=NCCc2c1[nH]c1cc(C)ccc21)c1ccc(OC(C)=O)c(OC)c1)=NCC3.COc1ccc2c3c([nH]c2c1)C(CC(CC1=NCCc2c1[nH]c1cc(C)ccc21)c1ccc(OC)c(O)c1)=NCC3
InChIInChI=1S/C36H36N4O4.C34H34N4O3/c1-20-5-8-25-27-11-13-37-31(35(27)39-29(25)15-20)16-23(22-6-10-33(44-21(2)41)34(18-22)43-4)17-32-36-28(12-14-38-32)26-9-7-24(42-3)19-30(26)40-36;1-19-4-7-23-25-10-12-35-29(33(25)37-27(23)14-19)15-21(20-5-9-32(41-3)31(39)17-20)16-30-34-26(11-13-36-30)24-8-6-22(40-2)18-28(24)38-34/h5-10,15,18-19,23,39-40H,11-14,16-17H2,1-4H3;4-9,14,17-18,21,37-39H,10-13,15-16H2,1-3H3
InChIKeyAZTYBWWEQNLTPG-UHFFFAOYSA-N
XLogP13.49
TPSA196.05 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001135.38
LogP ≤ 513.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 2-methoxy-5-[1-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-3-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propan-2-yl]phenol;[2-methoxy-4-[1-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-3-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propan-2-yl]phenyl] acetate with MolForge

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Launch Full Analysis

Related Compounds

[2-methoxy-4-[1-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-3-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propan-2-yl]phenyl] acetate
CID 163442595
7-methoxy-1-[3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-2-(4-methoxy-3-phenoxyphenyl)propyl]-4,9-dihydro-3H-pyrido[3,4-b]indole
CID 166963842
7-methoxy-1-[3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-2-(3-methoxy-4-phenylmethoxyphenyl)propyl]-4,9-dihydro-3H-pyrido[3,4-b]indole
CID 162707023
1-[2-(4-fluorophenyl)-3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propyl]-7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indole
CID 162706966
1-[2-(3-fluorophenyl)-3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propyl]-7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indole
CID 162706986
2-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)acetic acid
CID 137177310
(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)methanol
CID 137258618
7-methoxy-1-[3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-2-(2,4,5-trifluorophenyl)propyl]-4,9-dihydro-3H-pyrido[3,4-b]indole
CID 162706973
1-[2-[2-[(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)methyl]phenyl]ethyl]-7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole
CID 163447197
benzaldehyde;2-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-1-phenylethanol;7-methoxy-1-[3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-2-phenylpropyl]-4,9-dihydro-3H-pyrido[3,4-b]indole;bis(7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole)
CID 158965487
7-methoxy-1-[3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propyl]-4,9-dihydro-3H-pyrido[3,4-b]indole
CID 155780424
5-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)pentan-1-ol
CID 170981972

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[1-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-3-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propan-2-yl]phenol;[2-methoxy-4-[1-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-3-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propan-2-yl]phenyl] acetate?
The IUPAC name of 2-methoxy-5-[1-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-3-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propan-2-yl]phenol;[2-methoxy-4-[1-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-3-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propan-2-yl]phenyl] acetate (CID 163442593) is 2-methoxy-5-[1-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-3-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propan-2-yl]phenol;[2-methoxy-4-[1-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-3-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propan-2-yl]phenyl] acetate.
What is the SMILES notation for 2-methoxy-5-[1-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-3-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propan-2-yl]phenol;[2-methoxy-4-[1-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-3-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propan-2-yl]phenyl] acetate?
The canonical SMILES for 2-methoxy-5-[1-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-3-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propan-2-yl]phenol;[2-methoxy-4-[1-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-3-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propan-2-yl]phenyl] acetate is COc1ccc2c3c([nH]c2c1)C(CC(CC1=NCCc2c1[nH]c1cc(C)ccc21)c1ccc(OC(C)=O)c(OC)c1)=NCC3.COc1ccc2c3c([nH]c2c1)C(CC(CC1=NCCc2c1[nH]c1cc(C)ccc21)c1ccc(OC)c(O)c1)=NCC3.
What is the InChIKey of 2-methoxy-5-[1-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-3-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propan-2-yl]phenol;[2-methoxy-4-[1-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-3-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propan-2-yl]phenyl] acetate?
The InChIKey is AZTYBWWEQNLTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36N4O4.C34H34N4O3/c1-20-5-8-25-27-11-13-37-31(35(27)39-29(25)15-20)16-23(22-6-10-33(44-21(2)41)34(18-22)43-4)17-32-36-28(12-14-38-32)26-9-7-24(42-3)19-30(26)40-36;1-19-4-7-23-25-10-12-35-29(33(25)37-27(23)14-19)15-21(20-5-9-32(41-3)31(39)17-20)16-30-34-26(11-13-36-30)24-8-6-22(40-2)18-28(24)38-34/h5-10,15,18-19,23,39-40H,11-14,16-17H2,1-4H3;4-9,14,17-18,21,37-39H,10-13,15-16H2,1-3H3.
What are the key properties of 2-methoxy-5-[1-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-3-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propan-2-yl]phenol;[2-methoxy-4-[1-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-3-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propan-2-yl]phenyl] acetate?
2-methoxy-5-[1-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-3-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propan-2-yl]phenol;[2-methoxy-4-[1-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-3-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propan-2-yl]phenyl] acetate has a molecular weight of 1135.38 g/mol, XLogP of 13.49, 15 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[1-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-3-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propan-2-yl]phenol;[2-methoxy-4-[1-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-3-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propan-2-yl]phenyl] acetate is sourced from PubChem (CID 163442593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).