8-methoxy-1,2,3-trimethyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole

C24H30N2O — CID 142759561

IUPAC8-methoxy-1,2,3-trimethyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCOc1ccc2c(c1)c1c(n2CCCc2ccccc2)CC(C)N(C)C1C
InChIInChI=1S/C24H30N2O/c1-17-15-23-24(18(2)25(17)3)21-16-20(27-4)12-13-22(21)26(23)14-8-11-19-9-6-5-7-10-19/h5-7,9-10,12-13,16-18H,8,11,14-15H2,1-4H3
InChIKeyFGPVMJDIEHDEIM-UHFFFAOYSA-N
MW362.52 g/mol
LogP5.22
Rot. Bonds5

About 8-methoxy-1,2,3-trimethyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole

8-methoxy-1,2,3-trimethyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 142759561) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is 8-methoxy-1,2,3-trimethyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name8-methoxy-1,2,3-trimethyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID142759561
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name8-methoxy-1,2,3-trimethyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCOc1ccc2c(c1)c1c(n2CCCc2ccccc2)CC(C)N(C)C1C
InChIInChI=1S/C24H30N2O/c1-17-15-23-24(18(2)25(17)3)21-16-20(27-4)12-13-22(21)26(23)14-8-11-19-9-6-5-7-10-19/h5-7,9-10,12-13,16-18H,8,11,14-15H2,1-4H3
InChIKeyFGPVMJDIEHDEIM-UHFFFAOYSA-N
XLogP5.22
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 55.22
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

1,2,3,8-tetramethyl-5-[2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759440
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-(3-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142758902
1,2,3,8-tetramethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759333
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
1,2,3-trimethyl-5-(2-naphthalen-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759216
5-methoxy-15-methyl-9-(2-pyridin-3-ylethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
CID 142758930
8-chloro-2-ethyl-3-methyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759060
16-methyl-9-(3-phenylpropyl)-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene
CID 142759487
2-benzyl-3-methyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759302
(1S,12R)-5-methoxy-15-methyl-9-[2-[3-(trifluoromethyl)phenyl]ethyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
CID 67543713
9-[3-(3-methoxyphenyl)propyl]-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine
CID 23470193

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1,2,3-trimethyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 8-methoxy-1,2,3-trimethyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 142759561) is 8-methoxy-1,2,3-trimethyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 8-methoxy-1,2,3-trimethyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 8-methoxy-1,2,3-trimethyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is COc1ccc2c(c1)c1c(n2CCCc2ccccc2)CC(C)N(C)C1C.
What is the InChIKey of 8-methoxy-1,2,3-trimethyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is FGPVMJDIEHDEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c1-17-15-23-24(18(2)25(17)3)21-16-20(27-4)12-13-22(21)26(23)14-8-11-19-9-6-5-7-10-19/h5-7,9-10,12-13,16-18H,8,11,14-15H2,1-4H3.
What are the key properties of 8-methoxy-1,2,3-trimethyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
8-methoxy-1,2,3-trimethyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 362.52 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1,2,3-trimethyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 142759561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).