1-ethyl-2,8-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole

C23H28N2 — CID 142759046

IUPAC1-ethyl-2,8-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCCC1c2c(n(CCc3ccccc3)c3ccc(C)cc23)CCN1C
InChIInChI=1S/C23H28N2/c1-4-20-23-19-16-17(2)10-11-21(19)25(22(23)13-14-24(20)3)15-12-18-8-6-5-7-9-18/h5-11,16,20H,4,12-15H2,1-3H3
InChIKeyYYRNZERJBGVZEK-UHFFFAOYSA-N
MW332.49 g/mol
LogP5.13
Rot. Bonds4

About 1-ethyl-2,8-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole

1-ethyl-2,8-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 142759046) has the molecular formula C23H28N2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-ethyl-2,8-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name1-ethyl-2,8-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID142759046
Molecular FormulaC23H28N2
Molecular Weight332.49 g/mol
Exact Mass332.23
IUPAC Name1-ethyl-2,8-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCCC1c2c(n(CCc3ccccc3)c3ccc(C)cc23)CCN1C
InChIInChI=1S/C23H28N2/c1-4-20-23-19-16-17(2)10-11-21(19)25(22(23)13-14-24(20)3)15-12-18-8-6-5-7-9-18/h5-11,16,20H,4,12-15H2,1-3H3
InChIKeyYYRNZERJBGVZEK-UHFFFAOYSA-N
XLogP5.13
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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

8-fluoro-1,2-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 51029828
8-ethyl-1,2-dimethyl-5-[2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142758891
2,8-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-3-ol
CID 141242897
8-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylic acid
CID 70843060
2-ethyl-3,8-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 51030754
ethane;(1R)-5-[2-(4-fluorophenyl)ethyl]-1,2,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;(3R)-5-[2-(4-fluorophenyl)ethyl]-2,3,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 143798800
5-[2-(4-ethylphenyl)ethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 58147048
1-[2-[8-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethyl]imidazolidin-2-one
CID 70260624
1,2,3,8-tetramethyl-5-[2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759440
8-fluoro-5-[2-(3-fluorophenyl)ethyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759165
(1R)-5-[2-(4-fluorophenyl)ethyl]-1,8-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-2-ium
CID 144579409
5-benzyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-1-carbonitrile
CID 10566218

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,8-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 1-ethyl-2,8-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 142759046) is 1-ethyl-2,8-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 1-ethyl-2,8-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 1-ethyl-2,8-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is CCC1c2c(n(CCc3ccccc3)c3ccc(C)cc23)CCN1C.
What is the InChIKey of 1-ethyl-2,8-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is YYRNZERJBGVZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2/c1-4-20-23-19-16-17(2)10-11-21(19)25(22(23)13-14-24(20)3)15-12-18-8-6-5-7-9-18/h5-11,16,20H,4,12-15H2,1-3H3.
What are the key properties of 1-ethyl-2,8-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
1-ethyl-2,8-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 332.49 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,8-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 142759046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).