1-[(3,4-dimethylphenyl)methyl]-3,4-dimethylquinolin-2-one

C20H21NO — CID 71397212

IUPAC1-[(3,4-dimethylphenyl)methyl]-3,4-dimethylquinolin-2-one
SMILESCc1ccc(Cn2c(=O)c(C)c(C)c3ccccc32)cc1C
InChIInChI=1S/C20H21NO/c1-13-9-10-17(11-14(13)2)12-21-19-8-6-5-7-18(19)15(3)16(4)20(21)22/h5-11H,12H2,1-4H3
InChIKeyGPEYYIAATZFOTD-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.28
Rot. Bonds2

About 1-[(3,4-dimethylphenyl)methyl]-3,4-dimethylquinolin-2-one

1-[(3,4-dimethylphenyl)methyl]-3,4-dimethylquinolin-2-one (PubChem CID 71397212) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[(3,4-dimethylphenyl)methyl]-3,4-dimethylquinolin-2-one.

Molecular Properties

Compound Name1-[(3,4-dimethylphenyl)methyl]-3,4-dimethylquinolin-2-one
PubChem CID71397212
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name1-[(3,4-dimethylphenyl)methyl]-3,4-dimethylquinolin-2-one
SMILESCc1ccc(Cn2c(=O)c(C)c(C)c3ccccc32)cc1C
InChIInChI=1S/C20H21NO/c1-13-9-10-17(11-14(13)2)12-21-19-8-6-5-7-18(19)15(3)16(4)20(21)22/h5-11H,12H2,1-4H3
InChIKeyGPEYYIAATZFOTD-UHFFFAOYSA-N
XLogP4.28
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethylphenyl)methyl]-3,4-dimethylquinolin-2-one?
The IUPAC name of 1-[(3,4-dimethylphenyl)methyl]-3,4-dimethylquinolin-2-one (CID 71397212) is 1-[(3,4-dimethylphenyl)methyl]-3,4-dimethylquinolin-2-one.
What is the SMILES notation for 1-[(3,4-dimethylphenyl)methyl]-3,4-dimethylquinolin-2-one?
The canonical SMILES for 1-[(3,4-dimethylphenyl)methyl]-3,4-dimethylquinolin-2-one is Cc1ccc(Cn2c(=O)c(C)c(C)c3ccccc32)cc1C.
What is the InChIKey of 1-[(3,4-dimethylphenyl)methyl]-3,4-dimethylquinolin-2-one?
The InChIKey is GPEYYIAATZFOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c1-13-9-10-17(11-14(13)2)12-21-19-8-6-5-7-18(19)15(3)16(4)20(21)22/h5-11H,12H2,1-4H3.
What are the key properties of 1-[(3,4-dimethylphenyl)methyl]-3,4-dimethylquinolin-2-one?
1-[(3,4-dimethylphenyl)methyl]-3,4-dimethylquinolin-2-one has a molecular weight of 291.39 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethylphenyl)methyl]-3,4-dimethylquinolin-2-one is sourced from PubChem (CID 71397212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).