6-methoxy-9-methyl-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine

C23H28N4O2 — CID 58512053

IUPAC6-methoxy-9-methyl-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine
SMILESCOC1CCc2c(c3ccc(Nc4ccc(N5CCOCC5)cc4)nc3n2C)C1
InChIInChI=1S/C23H28N4O2/c1-26-21-9-7-18(28-2)15-20(21)19-8-10-22(25-23(19)26)24-16-3-5-17(6-4-16)27-11-13-29-14-12-27/h3-6,8,10,18H,7,9,11-15H2,1-2H3,(H,24,25)
InChIKeyDRSAKPMSMRSLPD-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.66
Rot. Bonds4

About 6-methoxy-9-methyl-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine

6-methoxy-9-methyl-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine (PubChem CID 58512053) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 6-methoxy-9-methyl-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine.

Molecular Properties

Compound Name6-methoxy-9-methyl-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine
PubChem CID58512053
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name6-methoxy-9-methyl-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine
SMILESCOC1CCc2c(c3ccc(Nc4ccc(N5CCOCC5)cc4)nc3n2C)C1
InChIInChI=1S/C23H28N4O2/c1-26-21-9-7-18(28-2)15-20(21)19-8-10-22(25-23(19)26)24-16-3-5-17(6-4-16)27-11-13-29-14-12-27/h3-6,8,10,18H,7,9,11-15H2,1-2H3,(H,24,25)
InChIKeyDRSAKPMSMRSLPD-UHFFFAOYSA-N
XLogP3.66
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-N,9-dimethyl-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine
CID 53494588
methane;9-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine
CID 161225949
6-N,6-N,9-trimethyl-2-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine
CID 159792682
6-N,9-dimethyl-2-N-(3,4,5-trifluorophenyl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine
CID 53494314
N-(3,4-difluorophenyl)-6-(2-fluoroethoxy)-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methoxy-6,7,8,9-tetrahydro-5H-carbazol-2-amine;6-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazole;N-(3,4-dimethoxyphenyl)-6-(2-fluoroethoxy)-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine;N-(3,4-dimethoxyphenyl)-6-methoxy-9-methyl-5,6,7,8-tetrahydrocarbazol-2-amine;N-(4-fluoro-3-methoxyphenyl)-6-methoxy-9-methyl-5,6,7,8-tetrahydrocarbazol-2-amine
CID 157457643
2-(6-methoxy-3-pyridinyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine
CID 117088664
6-chloro-N-(4-morpholin-4-ylphenyl)pyridazin-3-amine
CID 60674960
5-methyl-N-(4-morpholin-4-ylphenyl)-2,2-dioxo-3,4-dihydro-1H-thiopyrano[4,3-b]indol-8-amine
CID 58512415
N-cyclopropyl-2-(4-morpholin-4-ylanilino)quinoline-4-carboxamide
CID 117090375
6-methyl-N-(4-morpholin-4-ylphenyl)-2-phenylpyrimidin-4-amine
CID 117085579
6,7-dimethoxy-4-N-[(4-methylcyclohexyl)methyl]-2-N-(4-morpholin-4-ylphenyl)quinoline-2,4-diamine
CID 163559169
4-morpholin-4-yl-N-phenylaniline
CID 159018746

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-9-methyl-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine?
The IUPAC name of 6-methoxy-9-methyl-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine (CID 58512053) is 6-methoxy-9-methyl-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine.
What is the SMILES notation for 6-methoxy-9-methyl-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine?
The canonical SMILES for 6-methoxy-9-methyl-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine is COC1CCc2c(c3ccc(Nc4ccc(N5CCOCC5)cc4)nc3n2C)C1.
What is the InChIKey of 6-methoxy-9-methyl-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine?
The InChIKey is DRSAKPMSMRSLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-26-21-9-7-18(28-2)15-20(21)19-8-10-22(25-23(19)26)24-16-3-5-17(6-4-16)27-11-13-29-14-12-27/h3-6,8,10,18H,7,9,11-15H2,1-2H3,(H,24,25).
What are the key properties of 6-methoxy-9-methyl-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine?
6-methoxy-9-methyl-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine has a molecular weight of 392.50 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-9-methyl-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine is sourced from PubChem (CID 58512053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).