3-benzoyl-1-benzyl-6-methoxyquinolin-4-one

C24H19NO3 — CID 15945541

IUPAC3-benzoyl-1-benzyl-6-methoxyquinolin-4-one
SMILESCOc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2Cc1ccccc1
InChIInChI=1S/C24H19NO3/c1-28-19-12-13-22-20(14-19)24(27)21(23(26)18-10-6-3-7-11-18)16-25(22)15-17-8-4-2-5-9-17/h2-14,16H,15H2,1H3
InChIKeyIRWRHUHBMVKJBD-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.29
Rot. Bonds5

About 3-benzoyl-1-benzyl-6-methoxyquinolin-4-one

3-benzoyl-1-benzyl-6-methoxyquinolin-4-one (PubChem CID 15945541) has the molecular formula C24H19NO3 and a molecular weight of 369.42 g/mol. Its IUPAC name is 3-benzoyl-1-benzyl-6-methoxyquinolin-4-one.

Molecular Properties

Compound Name3-benzoyl-1-benzyl-6-methoxyquinolin-4-one
PubChem CID15945541
Molecular FormulaC24H19NO3
Molecular Weight369.42 g/mol
Exact Mass369.14
IUPAC Name3-benzoyl-1-benzyl-6-methoxyquinolin-4-one
SMILESCOc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2Cc1ccccc1
InChIInChI=1S/C24H19NO3/c1-28-19-12-13-22-20(14-19)24(27)21(23(26)18-10-6-3-7-11-18)16-25(22)15-17-8-4-2-5-9-17/h2-14,16H,15H2,1H3
InChIKeyIRWRHUHBMVKJBD-UHFFFAOYSA-N
XLogP4.29
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-1-benzyl-6-methoxyquinolin-4-one?
The IUPAC name of 3-benzoyl-1-benzyl-6-methoxyquinolin-4-one (CID 15945541) is 3-benzoyl-1-benzyl-6-methoxyquinolin-4-one.
What is the SMILES notation for 3-benzoyl-1-benzyl-6-methoxyquinolin-4-one?
The canonical SMILES for 3-benzoyl-1-benzyl-6-methoxyquinolin-4-one is COc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2Cc1ccccc1.
What is the InChIKey of 3-benzoyl-1-benzyl-6-methoxyquinolin-4-one?
The InChIKey is IRWRHUHBMVKJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO3/c1-28-19-12-13-22-20(14-19)24(27)21(23(26)18-10-6-3-7-11-18)16-25(22)15-17-8-4-2-5-9-17/h2-14,16H,15H2,1H3.
What are the key properties of 3-benzoyl-1-benzyl-6-methoxyquinolin-4-one?
3-benzoyl-1-benzyl-6-methoxyquinolin-4-one has a molecular weight of 369.42 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-1-benzyl-6-methoxyquinolin-4-one is sourced from PubChem (CID 15945541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).