1-benzhydryl-4,6,8-trimethylquinolin-2-one

C25H23NO — CID 39765002

IUPAC1-benzhydryl-4,6,8-trimethylquinolin-2-one
SMILESCc1cc(C)c2c(c1)c(C)cc(=O)n2C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23NO/c1-17-14-19(3)24-22(15-17)18(2)16-23(27)26(24)25(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-16,25H,1-3H3
InChIKeyWYJTUCSMAVBXLK-UHFFFAOYSA-N
MW353.47 g/mol
LogP5.56
Rot. Bonds3

About 1-benzhydryl-4,6,8-trimethylquinolin-2-one

1-benzhydryl-4,6,8-trimethylquinolin-2-one (PubChem CID 39765002) has the molecular formula C25H23NO and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-benzhydryl-4,6,8-trimethylquinolin-2-one.

Molecular Properties

Compound Name1-benzhydryl-4,6,8-trimethylquinolin-2-one
PubChem CID39765002
Molecular FormulaC25H23NO
Molecular Weight353.47 g/mol
Exact Mass353.18
IUPAC Name1-benzhydryl-4,6,8-trimethylquinolin-2-one
SMILESCc1cc(C)c2c(c1)c(C)cc(=O)n2C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23NO/c1-17-14-19(3)24-22(15-17)18(2)16-23(27)26(24)25(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-16,25H,1-3H3
InChIKeyWYJTUCSMAVBXLK-UHFFFAOYSA-N
XLogP5.56
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4,6,8-trimethylquinolin-2-one?
The IUPAC name of 1-benzhydryl-4,6,8-trimethylquinolin-2-one (CID 39765002) is 1-benzhydryl-4,6,8-trimethylquinolin-2-one.
What is the SMILES notation for 1-benzhydryl-4,6,8-trimethylquinolin-2-one?
The canonical SMILES for 1-benzhydryl-4,6,8-trimethylquinolin-2-one is Cc1cc(C)c2c(c1)c(C)cc(=O)n2C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-4,6,8-trimethylquinolin-2-one?
The InChIKey is WYJTUCSMAVBXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO/c1-17-14-19(3)24-22(15-17)18(2)16-23(27)26(24)25(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-16,25H,1-3H3.
What are the key properties of 1-benzhydryl-4,6,8-trimethylquinolin-2-one?
1-benzhydryl-4,6,8-trimethylquinolin-2-one has a molecular weight of 353.47 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4,6,8-trimethylquinolin-2-one is sourced from PubChem (CID 39765002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).