3-methyl-5-phenyl-2,4,5,6,7,8-hexahydro-1H-azonino[5,4-b]indole

C21H24N2 — CID 11695189

IUPAC3-methyl-5-phenyl-2,4,5,6,7,8-hexahydro-1H-azonino[5,4-b]indole
SMILESCN1CCc2c([nH]c3ccccc23)CCC(c2ccccc2)C1
InChIInChI=1S/C21H24N2/c1-23-14-13-19-18-9-5-6-10-20(18)22-21(19)12-11-17(15-23)16-7-3-2-4-8-16/h2-10,17,22H,11-15H2,1H3
InChIKeyQCWKGBLDWYTWHW-UHFFFAOYSA-N
MW304.44 g/mol
LogP4.37
Rot. Bonds1

About 3-methyl-5-phenyl-2,4,5,6,7,8-hexahydro-1H-azonino[5,4-b]indole

3-methyl-5-phenyl-2,4,5,6,7,8-hexahydro-1H-azonino[5,4-b]indole (PubChem CID 11695189) has the molecular formula C21H24N2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 3-methyl-5-phenyl-2,4,5,6,7,8-hexahydro-1H-azonino[5,4-b]indole.

Molecular Properties

Compound Name3-methyl-5-phenyl-2,4,5,6,7,8-hexahydro-1H-azonino[5,4-b]indole
PubChem CID11695189
Molecular FormulaC21H24N2
Molecular Weight304.44 g/mol
Exact Mass304.19
IUPAC Name3-methyl-5-phenyl-2,4,5,6,7,8-hexahydro-1H-azonino[5,4-b]indole
SMILESCN1CCc2c([nH]c3ccccc23)CCC(c2ccccc2)C1
InChIInChI=1S/C21H24N2/c1-23-14-13-19-18-9-5-6-10-20(18)22-21(19)12-11-17(15-23)16-7-3-2-4-8-16/h2-10,17,22H,11-15H2,1H3
InChIKeyQCWKGBLDWYTWHW-UHFFFAOYSA-N
XLogP4.37
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-phenyl-2,4,5,6,7,8-hexahydro-1H-azonino[5,4-b]indole?
The IUPAC name of 3-methyl-5-phenyl-2,4,5,6,7,8-hexahydro-1H-azonino[5,4-b]indole (CID 11695189) is 3-methyl-5-phenyl-2,4,5,6,7,8-hexahydro-1H-azonino[5,4-b]indole.
What is the SMILES notation for 3-methyl-5-phenyl-2,4,5,6,7,8-hexahydro-1H-azonino[5,4-b]indole?
The canonical SMILES for 3-methyl-5-phenyl-2,4,5,6,7,8-hexahydro-1H-azonino[5,4-b]indole is CN1CCc2c([nH]c3ccccc23)CCC(c2ccccc2)C1.
What is the InChIKey of 3-methyl-5-phenyl-2,4,5,6,7,8-hexahydro-1H-azonino[5,4-b]indole?
The InChIKey is QCWKGBLDWYTWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2/c1-23-14-13-19-18-9-5-6-10-20(18)22-21(19)12-11-17(15-23)16-7-3-2-4-8-16/h2-10,17,22H,11-15H2,1H3.
What are the key properties of 3-methyl-5-phenyl-2,4,5,6,7,8-hexahydro-1H-azonino[5,4-b]indole?
3-methyl-5-phenyl-2,4,5,6,7,8-hexahydro-1H-azonino[5,4-b]indole has a molecular weight of 304.44 g/mol, XLogP of 4.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-phenyl-2,4,5,6,7,8-hexahydro-1H-azonino[5,4-b]indole is sourced from PubChem (CID 11695189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).