1-benzyl-5,7-dimethoxy-2-phenylquinolin-4-one

C24H21NO3 — CID 134913635

IUPAC1-benzyl-5,7-dimethoxy-2-phenylquinolin-4-one
SMILESCOc1cc(OC)c2c(=O)cc(-c3ccccc3)n(Cc3ccccc3)c2c1
InChIInChI=1S/C24H21NO3/c1-27-19-13-21-24(23(14-19)28-2)22(26)15-20(18-11-7-4-8-12-18)25(21)16-17-9-5-3-6-10-17/h3-15H,16H2,1-2H3
InChIKeyUWSNPZBEYUBLIG-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.73
Rot. Bonds5

About 1-benzyl-5,7-dimethoxy-2-phenylquinolin-4-one

1-benzyl-5,7-dimethoxy-2-phenylquinolin-4-one (PubChem CID 134913635) has the molecular formula C24H21NO3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-benzyl-5,7-dimethoxy-2-phenylquinolin-4-one.

Molecular Properties

Compound Name1-benzyl-5,7-dimethoxy-2-phenylquinolin-4-one
PubChem CID134913635
Molecular FormulaC24H21NO3
Molecular Weight371.44 g/mol
Exact Mass371.15
IUPAC Name1-benzyl-5,7-dimethoxy-2-phenylquinolin-4-one
SMILESCOc1cc(OC)c2c(=O)cc(-c3ccccc3)n(Cc3ccccc3)c2c1
InChIInChI=1S/C24H21NO3/c1-27-19-13-21-24(23(14-19)28-2)22(26)15-20(18-11-7-4-8-12-18)25(21)16-17-9-5-3-6-10-17/h3-15H,16H2,1-2H3
InChIKeyUWSNPZBEYUBLIG-UHFFFAOYSA-N
XLogP4.73
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-methoxyphenyl)methyl]-5-phenylthieno[3,2-b]pyridin-7-one
CID 102442711
1-benzyl-2-chloro-3-methoxy-5-phenylpyrrole
CID 174510723
1-benzyl-7-(cyclopropylmethoxy)-6-fluoro-2-(4-methoxyphenyl)quinolin-4-one
CID 176909533
N-[(9-benzyl-2-methoxycarbazol-4-yl)oxymethyl]formamide
CID 54300639
1-benzyl-2,5-bis(4-methoxyphenyl)pyrrolo[2,3-c]pyridine
CID 135061790
4-chloro-5,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbonitrile
CID 23153965
2-(9-benzyl-5,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-4-yl)acetamide
CID 139893616
1-benzyl-2-phenylquinoline-4-thione
CID 11381842
10-benzyl-3-methoxyacridin-9-one
CID 12751573
3-amino-7-methoxy-5-[(4-methoxyphenyl)methyl]-2-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]quinoline-4,9-dione
CID 59023418
1-benzyl-6-methoxy-2-phenylpyrrolo[3,2-c]quinoline
CID 134961907
methyl 1-benzyl-2-(4-methoxyphenyl)-5-(4-methylphenyl)pyrrole-3-carboxylate
CID 101437272

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5,7-dimethoxy-2-phenylquinolin-4-one?
The IUPAC name of 1-benzyl-5,7-dimethoxy-2-phenylquinolin-4-one (CID 134913635) is 1-benzyl-5,7-dimethoxy-2-phenylquinolin-4-one.
What is the SMILES notation for 1-benzyl-5,7-dimethoxy-2-phenylquinolin-4-one?
The canonical SMILES for 1-benzyl-5,7-dimethoxy-2-phenylquinolin-4-one is COc1cc(OC)c2c(=O)cc(-c3ccccc3)n(Cc3ccccc3)c2c1.
What is the InChIKey of 1-benzyl-5,7-dimethoxy-2-phenylquinolin-4-one?
The InChIKey is UWSNPZBEYUBLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO3/c1-27-19-13-21-24(23(14-19)28-2)22(26)15-20(18-11-7-4-8-12-18)25(21)16-17-9-5-3-6-10-17/h3-15H,16H2,1-2H3.
What are the key properties of 1-benzyl-5,7-dimethoxy-2-phenylquinolin-4-one?
1-benzyl-5,7-dimethoxy-2-phenylquinolin-4-one has a molecular weight of 371.44 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5,7-dimethoxy-2-phenylquinolin-4-one is sourced from PubChem (CID 134913635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).