5-pentyl-2-(2-phenylpropan-2-yl)pyrido[4,3-b]indol-1-one

C25H28N2O — CID 134818034

IUPAC5-pentyl-2-(2-phenylpropan-2-yl)pyrido[4,3-b]indol-1-one
SMILESCCCCCn1c2ccccc2c2c(=O)n(C(C)(C)c3ccccc3)ccc21
InChIInChI=1S/C25H28N2O/c1-4-5-11-17-26-21-15-10-9-14-20(21)23-22(26)16-18-27(24(23)28)25(2,3)19-12-7-6-8-13-19/h6-10,12-16,18H,4-5,11,17H2,1-3H3
InChIKeyAWHWTKXMUJLSRM-UHFFFAOYSA-N
MW372.51 g/mol
LogP5.93
Rot. Bonds6

About 5-pentyl-2-(2-phenylpropan-2-yl)pyrido[4,3-b]indol-1-one

5-pentyl-2-(2-phenylpropan-2-yl)pyrido[4,3-b]indol-1-one (PubChem CID 134818034) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is 5-pentyl-2-(2-phenylpropan-2-yl)pyrido[4,3-b]indol-1-one.

Molecular Properties

Compound Name5-pentyl-2-(2-phenylpropan-2-yl)pyrido[4,3-b]indol-1-one
PubChem CID134818034
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC Name5-pentyl-2-(2-phenylpropan-2-yl)pyrido[4,3-b]indol-1-one
SMILESCCCCCn1c2ccccc2c2c(=O)n(C(C)(C)c3ccccc3)ccc21
InChIInChI=1S/C25H28N2O/c1-4-5-11-17-26-21-15-10-9-14-20(21)23-22(26)16-18-27(24(23)28)25(2,3)19-12-7-6-8-13-19/h6-10,12-16,18H,4-5,11,17H2,1-3H3
InChIKeyAWHWTKXMUJLSRM-UHFFFAOYSA-N
XLogP5.93
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-pentyl-2-(2-phenylpropan-2-yl)pyrido[4,3-b]indol-1-one?
The IUPAC name of 5-pentyl-2-(2-phenylpropan-2-yl)pyrido[4,3-b]indol-1-one (CID 134818034) is 5-pentyl-2-(2-phenylpropan-2-yl)pyrido[4,3-b]indol-1-one.
What is the SMILES notation for 5-pentyl-2-(2-phenylpropan-2-yl)pyrido[4,3-b]indol-1-one?
The canonical SMILES for 5-pentyl-2-(2-phenylpropan-2-yl)pyrido[4,3-b]indol-1-one is CCCCCn1c2ccccc2c2c(=O)n(C(C)(C)c3ccccc3)ccc21.
What is the InChIKey of 5-pentyl-2-(2-phenylpropan-2-yl)pyrido[4,3-b]indol-1-one?
The InChIKey is AWHWTKXMUJLSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O/c1-4-5-11-17-26-21-15-10-9-14-20(21)23-22(26)16-18-27(24(23)28)25(2,3)19-12-7-6-8-13-19/h6-10,12-16,18H,4-5,11,17H2,1-3H3.
What are the key properties of 5-pentyl-2-(2-phenylpropan-2-yl)pyrido[4,3-b]indol-1-one?
5-pentyl-2-(2-phenylpropan-2-yl)pyrido[4,3-b]indol-1-one has a molecular weight of 372.51 g/mol, XLogP of 5.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyl-2-(2-phenylpropan-2-yl)pyrido[4,3-b]indol-1-one is sourced from PubChem (CID 134818034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).