1,2,3-trimethyl-5-[2-(3-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

C23H28N2 — CID 142758902

IUPAC1,2,3-trimethyl-5-[2-(3-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCc1cccc(CCn2c3c(c4ccccc42)C(C)N(C)C(C)C3)c1
InChIInChI=1S/C23H28N2/c1-16-8-7-9-19(14-16)12-13-25-21-11-6-5-10-20(21)23-18(3)24(4)17(2)15-22(23)25/h5-11,14,17-18H,12-13,15H2,1-4H3
InChIKeyFDYSUISFLTVWAK-UHFFFAOYSA-N
MW332.49 g/mol
LogP5.13
Rot. Bonds3

About 1,2,3-trimethyl-5-[2-(3-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

1,2,3-trimethyl-5-[2-(3-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 142758902) has the molecular formula C23H28N2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 1,2,3-trimethyl-5-[2-(3-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name1,2,3-trimethyl-5-[2-(3-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID142758902
Molecular FormulaC23H28N2
Molecular Weight332.49 g/mol
Exact Mass332.23
IUPAC Name1,2,3-trimethyl-5-[2-(3-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCc1cccc(CCn2c3c(c4ccccc42)C(C)N(C)C(C)C3)c1
InChIInChI=1S/C23H28N2/c1-16-8-7-9-19(14-16)12-13-25-21-11-6-5-10-20(21)23-18(3)24(4)17(2)15-22(23)25/h5-11,14,17-18H,12-13,15H2,1-4H3
InChIKeyFDYSUISFLTVWAK-UHFFFAOYSA-N
XLogP5.13
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.49
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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
1,2,3-trimethyl-5-(2-naphthalen-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759216
1,2,3,8-tetramethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759333
8-chloro-2-ethyl-3-methyl-5-[2-(3-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759098
8-methoxy-1,2,3-trimethyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759561
6-chloro-1,2,3-trimethyl-5-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759320
2-ethyl-3,8-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 51030754
methane;9-[(3-methylphenyl)methyl]carbazole
CID 159308792
6-chloro-1,2,3-trimethyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759453
6-fluoro-2,3,9-trimethyl-5-[2-(3-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759530
8-fluoro-5-[2-(3-fluorophenyl)ethyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759165
16-methyl-9-(3-phenylpropyl)-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene
CID 142759487

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-5-[2-(3-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 1,2,3-trimethyl-5-[2-(3-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 142758902) is 1,2,3-trimethyl-5-[2-(3-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 1,2,3-trimethyl-5-[2-(3-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 1,2,3-trimethyl-5-[2-(3-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is Cc1cccc(CCn2c3c(c4ccccc42)C(C)N(C)C(C)C3)c1.
What is the InChIKey of 1,2,3-trimethyl-5-[2-(3-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is FDYSUISFLTVWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2/c1-16-8-7-9-19(14-16)12-13-25-21-11-6-5-10-20(21)23-18(3)24(4)17(2)15-22(23)25/h5-11,14,17-18H,12-13,15H2,1-4H3.
What are the key properties of 1,2,3-trimethyl-5-[2-(3-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
1,2,3-trimethyl-5-[2-(3-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 332.49 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-5-[2-(3-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 142758902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).