1-(3,4-dimethylphenyl)-2-[6-(4-methylphenyl)quinolin-2-yl]ethanone

C26H23NO — CID 158792639

IUPAC1-(3,4-dimethylphenyl)-2-[6-(4-methylphenyl)quinolin-2-yl]ethanone
SMILESCc1ccc(-c2ccc3nc(CC(=O)c4ccc(C)c(C)c4)ccc3c2)cc1
InChIInChI=1S/C26H23NO/c1-17-4-7-20(8-5-17)21-11-13-25-22(15-21)10-12-24(27-25)16-26(28)23-9-6-18(2)19(3)14-23/h4-15H,16H2,1-3H3
InChIKeyQDESRDZLELFUPT-UHFFFAOYSA-N
MW365.48 g/mol
LogP6.25
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-2-[6-(4-methylphenyl)quinolin-2-yl]ethanone

1-(3,4-dimethylphenyl)-2-[6-(4-methylphenyl)quinolin-2-yl]ethanone (PubChem CID 158792639) has the molecular formula C26H23NO and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-[6-(4-methylphenyl)quinolin-2-yl]ethanone.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-[6-(4-methylphenyl)quinolin-2-yl]ethanone
PubChem CID158792639
Molecular FormulaC26H23NO
Molecular Weight365.48 g/mol
Exact Mass365.18
IUPAC Name1-(3,4-dimethylphenyl)-2-[6-(4-methylphenyl)quinolin-2-yl]ethanone
SMILESCc1ccc(-c2ccc3nc(CC(=O)c4ccc(C)c(C)c4)ccc3c2)cc1
InChIInChI=1S/C26H23NO/c1-17-4-7-20(8-5-17)21-11-13-25-22(15-21)10-12-24(27-25)16-26(28)23-9-6-18(2)19(3)14-23/h4-15H,16H2,1-3H3
InChIKeyQDESRDZLELFUPT-UHFFFAOYSA-N
XLogP6.25
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.48
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-4-methylphenyl)-2-quinolin-2-ylethanone
CID 28935285
N-(2-hydroxyethyl)-2-(6-methylquinolin-2-yl)acetamide
CID 110490351
1-(3-bromo-4-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanone
CID 81471898
2-[[2-(6-methylquinolin-2-yl)acetyl]amino]acetic acid
CID 110490348
2-(4-methylphenyl)-1-quinolin-6-ylethanone
CID 63096314
1-(4-chloro-3-methylphenyl)-2-(2-chloropyrimidin-4-yl)ethanone
CID 58377221
2-bromo-1-[4-[2-(2-bromoacetyl)quinolin-6-yl]phenyl]ethanone
CID 58498759
1-(3,4-dimethylphenyl)-3-(4-methylanilino)propan-1-one
CID 94278599
1,2-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 20704293
1-(3,4-dimethylphenyl)-2-sulfanylethanone
CID 82125292
(3,4-dimethylphenyl)-(4-methylphenyl)methanone;1,2,4,5-tetramethylbenzene
CID 159278284
1-(2-fluoro-5-methylphenyl)-2-quinolin-2-ylethanone
CID 62515015

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-[6-(4-methylphenyl)quinolin-2-yl]ethanone?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-[6-(4-methylphenyl)quinolin-2-yl]ethanone (CID 158792639) is 1-(3,4-dimethylphenyl)-2-[6-(4-methylphenyl)quinolin-2-yl]ethanone.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-[6-(4-methylphenyl)quinolin-2-yl]ethanone?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-[6-(4-methylphenyl)quinolin-2-yl]ethanone is Cc1ccc(-c2ccc3nc(CC(=O)c4ccc(C)c(C)c4)ccc3c2)cc1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-[6-(4-methylphenyl)quinolin-2-yl]ethanone?
The InChIKey is QDESRDZLELFUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO/c1-17-4-7-20(8-5-17)21-11-13-25-22(15-21)10-12-24(27-25)16-26(28)23-9-6-18(2)19(3)14-23/h4-15H,16H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-[6-(4-methylphenyl)quinolin-2-yl]ethanone?
1-(3,4-dimethylphenyl)-2-[6-(4-methylphenyl)quinolin-2-yl]ethanone has a molecular weight of 365.48 g/mol, XLogP of 6.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-[6-(4-methylphenyl)quinolin-2-yl]ethanone is sourced from PubChem (CID 158792639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).