3-methyl-7-(methylsulfanylamino)-6-[(3-phenylphenyl)methyl]-6,7,8,9-tetrahydroquinolizin-4-one

C24H26N2OS — CID 166798444

IUPAC3-methyl-7-(methylsulfanylamino)-6-[(3-phenylphenyl)methyl]-6,7,8,9-tetrahydroquinolizin-4-one
SMILESCSNC1CCc2ccc(C)c(=O)n2C1Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C24H26N2OS/c1-17-11-12-21-13-14-22(25-28-2)23(26(21)24(17)27)16-18-7-6-10-20(15-18)19-8-4-3-5-9-19/h3-12,15,22-23,25H,13-14,16H2,1-2H3
InChIKeyGOVNCTSTZQKONV-UHFFFAOYSA-N
MW390.55 g/mol
LogP4.79
Rot. Bonds5

About 3-methyl-7-(methylsulfanylamino)-6-[(3-phenylphenyl)methyl]-6,7,8,9-tetrahydroquinolizin-4-one

3-methyl-7-(methylsulfanylamino)-6-[(3-phenylphenyl)methyl]-6,7,8,9-tetrahydroquinolizin-4-one (PubChem CID 166798444) has the molecular formula C24H26N2OS and a molecular weight of 390.55 g/mol. Its IUPAC name is 3-methyl-7-(methylsulfanylamino)-6-[(3-phenylphenyl)methyl]-6,7,8,9-tetrahydroquinolizin-4-one.

Molecular Properties

Compound Name3-methyl-7-(methylsulfanylamino)-6-[(3-phenylphenyl)methyl]-6,7,8,9-tetrahydroquinolizin-4-one
PubChem CID166798444
Molecular FormulaC24H26N2OS
Molecular Weight390.55 g/mol
Exact Mass390.18
IUPAC Name3-methyl-7-(methylsulfanylamino)-6-[(3-phenylphenyl)methyl]-6,7,8,9-tetrahydroquinolizin-4-one
SMILESCSNC1CCc2ccc(C)c(=O)n2C1Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C24H26N2OS/c1-17-11-12-21-13-14-22(25-28-2)23(26(21)24(17)27)16-18-7-6-10-20(15-18)19-8-4-3-5-9-19/h3-12,15,22-23,25H,13-14,16H2,1-2H3
InChIKeyGOVNCTSTZQKONV-UHFFFAOYSA-N
XLogP4.79
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-methyl-7-(methylsulfanylamino)-6-[(3-phenylphenyl)methyl]-6,7,8,9-tetrahydroquinolizin-4-one 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 3-methyl-7-(methylsulfanylamino)-6-[(3-phenylphenyl)methyl]-6,7,8,9-tetrahydroquinolizin-4-one?
The IUPAC name of 3-methyl-7-(methylsulfanylamino)-6-[(3-phenylphenyl)methyl]-6,7,8,9-tetrahydroquinolizin-4-one (CID 166798444) is 3-methyl-7-(methylsulfanylamino)-6-[(3-phenylphenyl)methyl]-6,7,8,9-tetrahydroquinolizin-4-one.
What is the SMILES notation for 3-methyl-7-(methylsulfanylamino)-6-[(3-phenylphenyl)methyl]-6,7,8,9-tetrahydroquinolizin-4-one?
The canonical SMILES for 3-methyl-7-(methylsulfanylamino)-6-[(3-phenylphenyl)methyl]-6,7,8,9-tetrahydroquinolizin-4-one is CSNC1CCc2ccc(C)c(=O)n2C1Cc1cccc(-c2ccccc2)c1.
What is the InChIKey of 3-methyl-7-(methylsulfanylamino)-6-[(3-phenylphenyl)methyl]-6,7,8,9-tetrahydroquinolizin-4-one?
The InChIKey is GOVNCTSTZQKONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2OS/c1-17-11-12-21-13-14-22(25-28-2)23(26(21)24(17)27)16-18-7-6-10-20(15-18)19-8-4-3-5-9-19/h3-12,15,22-23,25H,13-14,16H2,1-2H3.
What are the key properties of 3-methyl-7-(methylsulfanylamino)-6-[(3-phenylphenyl)methyl]-6,7,8,9-tetrahydroquinolizin-4-one?
3-methyl-7-(methylsulfanylamino)-6-[(3-phenylphenyl)methyl]-6,7,8,9-tetrahydroquinolizin-4-one has a molecular weight of 390.55 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(methylsulfanylamino)-6-[(3-phenylphenyl)methyl]-6,7,8,9-tetrahydroquinolizin-4-one is sourced from PubChem (CID 166798444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).