1,2,3,6-tetramethyl-5-(2-phenoxyethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole

C23H28N2O — CID 142759527

IUPAC1,2,3,6-tetramethyl-5-(2-phenoxyethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCc1cccc2c3c(n(CCOc4ccccc4)c12)CC(C)N(C)C3C
InChIInChI=1S/C23H28N2O/c1-16-9-8-12-20-22-18(3)24(4)17(2)15-21(22)25(23(16)20)13-14-26-19-10-6-5-7-11-19/h5-12,17-18H,13-15H2,1-4H3
InChIKeyFUBHXRNNULCHHE-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.97
Rot. Bonds4

About 1,2,3,6-tetramethyl-5-(2-phenoxyethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole

1,2,3,6-tetramethyl-5-(2-phenoxyethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 142759527) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 1,2,3,6-tetramethyl-5-(2-phenoxyethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name1,2,3,6-tetramethyl-5-(2-phenoxyethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID142759527
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name1,2,3,6-tetramethyl-5-(2-phenoxyethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCc1cccc2c3c(n(CCOc4ccccc4)c12)CC(C)N(C)C3C
InChIInChI=1S/C23H28N2O/c1-16-9-8-12-20-22-18(3)24(4)17(2)15-21(22)25(23(16)20)13-14-26-19-10-6-5-7-11-19/h5-12,17-18H,13-15H2,1-4H3
InChIKeyFUBHXRNNULCHHE-UHFFFAOYSA-N
XLogP4.97
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-chloro-1,2,3-trimethyl-5-(2-phenoxyethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759363
1,2,3-trimethyl-5-(2-naphthalen-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759216
(2R)-2-methyl-1-(2-phenoxyethyl)aziridine
CID 122210723
2-ethyl-3,6-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 51030938
5-methoxy-15-methyl-9-(2-phenoxyethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
CID 142759562
8-methoxy-1,2,3-trimethyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759561
1,3-dimethyl-2-(2-phenoxyethoxy)benzene
CID 78906435
4,8-dimethyl-1-[4-(4-methylphenoxy)butyl]quinolin-2-one
CID 39768203
9-[3-(4-chlorophenoxy)propyl]-8-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
CID 155511584
1-[2-(4-bromophenoxy)ethyl]-7-methyl-3-nitrosoindol-2-ol
CID 135575093
2,5-dimethyl-1-(3-phenoxypropyl)pyrrolidine
CID 123293615
5-[2-(4-chlorophenyl)ethyl]-2-ethyl-3,6-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759318

Frequently Asked Questions

What is the IUPAC name of 1,2,3,6-tetramethyl-5-(2-phenoxyethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 1,2,3,6-tetramethyl-5-(2-phenoxyethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 142759527) is 1,2,3,6-tetramethyl-5-(2-phenoxyethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 1,2,3,6-tetramethyl-5-(2-phenoxyethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 1,2,3,6-tetramethyl-5-(2-phenoxyethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is Cc1cccc2c3c(n(CCOc4ccccc4)c12)CC(C)N(C)C3C.
What is the InChIKey of 1,2,3,6-tetramethyl-5-(2-phenoxyethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is FUBHXRNNULCHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-16-9-8-12-20-22-18(3)24(4)17(2)15-21(22)25(23(16)20)13-14-26-19-10-6-5-7-11-19/h5-12,17-18H,13-15H2,1-4H3.
What are the key properties of 1,2,3,6-tetramethyl-5-(2-phenoxyethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
1,2,3,6-tetramethyl-5-(2-phenoxyethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 348.49 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,6-tetramethyl-5-(2-phenoxyethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 142759527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).