2-N-(3,4-dimethoxyphenyl)-6-N-(2-methoxyethyl)-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine

C23H30N4O3 — CID 58512077

IUPAC2-N-(3,4-dimethoxyphenyl)-6-N-(2-methoxyethyl)-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine
SMILESCOCCNC1CCc2c(c3ccc(Nc4ccc(OC)c(OC)c4)nc3n2C)C1
InChIInChI=1S/C23H30N4O3/c1-27-19-8-5-15(24-11-12-28-2)13-18(19)17-7-10-22(26-23(17)27)25-16-6-9-20(29-3)21(14-16)30-4/h6-7,9-10,14-15,24H,5,8,11-13H2,1-4H3,(H,25,26)
InChIKeyLVQRLVCTMHFZNW-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.43
Rot. Bonds8

About 2-N-(3,4-dimethoxyphenyl)-6-N-(2-methoxyethyl)-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine

2-N-(3,4-dimethoxyphenyl)-6-N-(2-methoxyethyl)-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine (PubChem CID 58512077) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-N-(3,4-dimethoxyphenyl)-6-N-(2-methoxyethyl)-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine.

Molecular Properties

Compound Name2-N-(3,4-dimethoxyphenyl)-6-N-(2-methoxyethyl)-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine
PubChem CID58512077
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name2-N-(3,4-dimethoxyphenyl)-6-N-(2-methoxyethyl)-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine
SMILESCOCCNC1CCc2c(c3ccc(Nc4ccc(OC)c(OC)c4)nc3n2C)C1
InChIInChI=1S/C23H30N4O3/c1-27-19-8-5-15(24-11-12-28-2)13-18(19)17-7-10-22(26-23(17)27)25-16-6-9-20(29-3)21(14-16)30-4/h6-7,9-10,14-15,24H,5,8,11-13H2,1-4H3,(H,25,26)
InChIKeyLVQRLVCTMHFZNW-UHFFFAOYSA-N
XLogP3.43
TPSA69.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-dimethoxyphenyl)-6-N-(2-methoxyethyl)-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine?
The IUPAC name of 2-N-(3,4-dimethoxyphenyl)-6-N-(2-methoxyethyl)-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine (CID 58512077) is 2-N-(3,4-dimethoxyphenyl)-6-N-(2-methoxyethyl)-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine.
What is the SMILES notation for 2-N-(3,4-dimethoxyphenyl)-6-N-(2-methoxyethyl)-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine?
The canonical SMILES for 2-N-(3,4-dimethoxyphenyl)-6-N-(2-methoxyethyl)-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine is COCCNC1CCc2c(c3ccc(Nc4ccc(OC)c(OC)c4)nc3n2C)C1.
What is the InChIKey of 2-N-(3,4-dimethoxyphenyl)-6-N-(2-methoxyethyl)-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine?
The InChIKey is LVQRLVCTMHFZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-27-19-8-5-15(24-11-12-28-2)13-18(19)17-7-10-22(26-23(17)27)25-16-6-9-20(29-3)21(14-16)30-4/h6-7,9-10,14-15,24H,5,8,11-13H2,1-4H3,(H,25,26).
What are the key properties of 2-N-(3,4-dimethoxyphenyl)-6-N-(2-methoxyethyl)-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine?
2-N-(3,4-dimethoxyphenyl)-6-N-(2-methoxyethyl)-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine has a molecular weight of 410.52 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-dimethoxyphenyl)-6-N-(2-methoxyethyl)-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine is sourced from PubChem (CID 58512077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).