(8-methoxy-2,2,4-trimethylquinolin-1-yl)-(2-methylphenyl)methanone

C21H23NO2 — CID 16584718

IUPAC(8-methoxy-2,2,4-trimethylquinolin-1-yl)-(2-methylphenyl)methanone
SMILESCOc1cccc2c1N(C(=O)c1ccccc1C)C(C)(C)C=C2C
InChIInChI=1S/C21H23NO2/c1-14-9-6-7-10-17(14)20(23)22-19-16(11-8-12-18(19)24-5)15(2)13-21(22,3)4/h6-13H,1-5H3
InChIKeyVGAWDIOAFALJEU-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.85
Rot. Bonds2

About (8-methoxy-2,2,4-trimethylquinolin-1-yl)-(2-methylphenyl)methanone

(8-methoxy-2,2,4-trimethylquinolin-1-yl)-(2-methylphenyl)methanone (PubChem CID 16584718) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is (8-methoxy-2,2,4-trimethylquinolin-1-yl)-(2-methylphenyl)methanone.

Molecular Properties

Compound Name(8-methoxy-2,2,4-trimethylquinolin-1-yl)-(2-methylphenyl)methanone
PubChem CID16584718
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name(8-methoxy-2,2,4-trimethylquinolin-1-yl)-(2-methylphenyl)methanone
SMILESCOc1cccc2c1N(C(=O)c1ccccc1C)C(C)(C)C=C2C
InChIInChI=1S/C21H23NO2/c1-14-9-6-7-10-17(14)20(23)22-19-16(11-8-12-18(19)24-5)15(2)13-21(22,3)4/h6-13H,1-5H3
InChIKeyVGAWDIOAFALJEU-UHFFFAOYSA-N
XLogP4.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(8-methoxy-2,2,4-trimethylquinolin-1-yl)pentanoate
CID 132650701
methyl 2-(2,2,4,8-tetramethylquinolin-1-yl)butanoate
CID 132649846
2-(2-methoxy-6-methylphenyl)isoindole-1,3-dione
CID 622512
(2,6-dimethylphenyl)-(2-methoxyphenyl)methanone
CID 24722767
1-[(E)-1,2-bis(2-methoxyphenyl)-2-(2-methylphenyl)ethenyl]-2-methylbenzene
CID 102177255
(6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)-(2-methylphenyl)methanone
CID 110635807
[4-(2-methoxyphenyl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 2728064
2-hydroxy-2-(2-methoxyphenyl)-1-(2-methylphenyl)ethanone
CID 159768734
2-(2-fluoro-3-methoxyphenyl)-1-(2-methylphenyl)ethanone
CID 113453726
(3S)-1-(2-methoxyphenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one
CID 93292651
N,N-diethyl-3-methoxy-2-(2-methylphenyl)benzamide
CID 14174929
1-(2,2,4-trimethylquinolin-1-yl)but-2-en-1-one
CID 3119210

Frequently Asked Questions

What is the IUPAC name of (8-methoxy-2,2,4-trimethylquinolin-1-yl)-(2-methylphenyl)methanone?
The IUPAC name of (8-methoxy-2,2,4-trimethylquinolin-1-yl)-(2-methylphenyl)methanone (CID 16584718) is (8-methoxy-2,2,4-trimethylquinolin-1-yl)-(2-methylphenyl)methanone.
What is the SMILES notation for (8-methoxy-2,2,4-trimethylquinolin-1-yl)-(2-methylphenyl)methanone?
The canonical SMILES for (8-methoxy-2,2,4-trimethylquinolin-1-yl)-(2-methylphenyl)methanone is COc1cccc2c1N(C(=O)c1ccccc1C)C(C)(C)C=C2C.
What is the InChIKey of (8-methoxy-2,2,4-trimethylquinolin-1-yl)-(2-methylphenyl)methanone?
The InChIKey is VGAWDIOAFALJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c1-14-9-6-7-10-17(14)20(23)22-19-16(11-8-12-18(19)24-5)15(2)13-21(22,3)4/h6-13H,1-5H3.
What are the key properties of (8-methoxy-2,2,4-trimethylquinolin-1-yl)-(2-methylphenyl)methanone?
(8-methoxy-2,2,4-trimethylquinolin-1-yl)-(2-methylphenyl)methanone has a molecular weight of 321.42 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methoxy-2,2,4-trimethylquinolin-1-yl)-(2-methylphenyl)methanone is sourced from PubChem (CID 16584718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).