1-(1,5,7,9-tetramethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)ethanone

C17H22N2O — CID 70595862

IUPAC1-(1,5,7,9-tetramethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)ethanone
SMILESCC(=O)N1CCc2c(n(C)c3cc(C)cc(C)c23)C1C
InChIInChI=1S/C17H22N2O/c1-10-8-11(2)16-14-6-7-19(13(4)20)12(3)17(14)18(5)15(16)9-10/h8-9,12H,6-7H2,1-5H3
InChIKeyNTPPGMILOPAIRP-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.26
Rot. Bonds

About 1-(1,5,7,9-tetramethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)ethanone

1-(1,5,7,9-tetramethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)ethanone (PubChem CID 70595862) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-(1,5,7,9-tetramethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)ethanone.

Molecular Properties

Compound Name1-(1,5,7,9-tetramethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)ethanone
PubChem CID70595862
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-(1,5,7,9-tetramethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)ethanone
SMILESCC(=O)N1CCc2c(n(C)c3cc(C)cc(C)c23)C1C
InChIInChI=1S/C17H22N2O/c1-10-8-11(2)16-14-6-7-19(13(4)20)12(3)17(14)18(5)15(16)9-10/h8-9,12H,6-7H2,1-5H3
InChIKeyNTPPGMILOPAIRP-UHFFFAOYSA-N
XLogP3.26
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(1,5,7,9-tetramethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,5,7,9-tetramethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)ethanone?
The IUPAC name of 1-(1,5,7,9-tetramethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)ethanone (CID 70595862) is 1-(1,5,7,9-tetramethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)ethanone.
What is the SMILES notation for 1-(1,5,7,9-tetramethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)ethanone?
The canonical SMILES for 1-(1,5,7,9-tetramethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)ethanone is CC(=O)N1CCc2c(n(C)c3cc(C)cc(C)c23)C1C.
What is the InChIKey of 1-(1,5,7,9-tetramethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)ethanone?
The InChIKey is NTPPGMILOPAIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-10-8-11(2)16-14-6-7-19(13(4)20)12(3)17(14)18(5)15(16)9-10/h8-9,12H,6-7H2,1-5H3.
What are the key properties of 1-(1,5,7,9-tetramethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)ethanone?
1-(1,5,7,9-tetramethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)ethanone has a molecular weight of 270.38 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5,7,9-tetramethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)ethanone is sourced from PubChem (CID 70595862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).