5,7-dimethyl-3-(4-methylphenyl)-2,3-dihydro-1H-quinolin-4-one

C18H19NO — CID 58771496

IUPAC5,7-dimethyl-3-(4-methylphenyl)-2,3-dihydro-1H-quinolin-4-one
SMILESCc1ccc(C2CNc3cc(C)cc(C)c3C2=O)cc1
InChIInChI=1S/C18H19NO/c1-11-4-6-14(7-5-11)15-10-19-16-9-12(2)8-13(3)17(16)18(15)20/h4-9,15,19H,10H2,1-3H3
InChIKeyMHRSIXQUDMAMJF-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.00
Rot. Bonds1

About 5,7-dimethyl-3-(4-methylphenyl)-2,3-dihydro-1H-quinolin-4-one

5,7-dimethyl-3-(4-methylphenyl)-2,3-dihydro-1H-quinolin-4-one (PubChem CID 58771496) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 5,7-dimethyl-3-(4-methylphenyl)-2,3-dihydro-1H-quinolin-4-one.

Molecular Properties

Compound Name5,7-dimethyl-3-(4-methylphenyl)-2,3-dihydro-1H-quinolin-4-one
PubChem CID58771496
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name5,7-dimethyl-3-(4-methylphenyl)-2,3-dihydro-1H-quinolin-4-one
SMILESCc1ccc(C2CNc3cc(C)cc(C)c3C2=O)cc1
InChIInChI=1S/C18H19NO/c1-11-4-6-14(7-5-11)15-10-19-16-9-12(2)8-13(3)17(16)18(15)20/h4-9,15,19H,10H2,1-3H3
InChIKeyMHRSIXQUDMAMJF-UHFFFAOYSA-N
XLogP4.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Zanapezil
CID 198752
Acridone
CID 2015
1,4-Bis((1-methylethyl)amino)-9,10-anthracenedione
CID 61719
C.I. Solvent Blue 35
CID 3766139
Solvent Red 111
CID 6706
Disperse Violet 4
CID 14650
9,10-Anthracenedione, 1,4-bis(methylamino)-
CID 17189
Solvent Blue 63
CID 80834
2-Methyl-acridone
CID 419818
Solvent Blue 14
CID 75847
2,5,8-Trimethylquinolin-4-ol
CID 269208
9,10-Anthracenedione, 1-(cyclohexylamino)-
CID 70669

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3-(4-methylphenyl)-2,3-dihydro-1H-quinolin-4-one?
The IUPAC name of 5,7-dimethyl-3-(4-methylphenyl)-2,3-dihydro-1H-quinolin-4-one (CID 58771496) is 5,7-dimethyl-3-(4-methylphenyl)-2,3-dihydro-1H-quinolin-4-one.
What is the SMILES notation for 5,7-dimethyl-3-(4-methylphenyl)-2,3-dihydro-1H-quinolin-4-one?
The canonical SMILES for 5,7-dimethyl-3-(4-methylphenyl)-2,3-dihydro-1H-quinolin-4-one is Cc1ccc(C2CNc3cc(C)cc(C)c3C2=O)cc1.
What is the InChIKey of 5,7-dimethyl-3-(4-methylphenyl)-2,3-dihydro-1H-quinolin-4-one?
The InChIKey is MHRSIXQUDMAMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-11-4-6-14(7-5-11)15-10-19-16-9-12(2)8-13(3)17(16)18(15)20/h4-9,15,19H,10H2,1-3H3.
What are the key properties of 5,7-dimethyl-3-(4-methylphenyl)-2,3-dihydro-1H-quinolin-4-one?
5,7-dimethyl-3-(4-methylphenyl)-2,3-dihydro-1H-quinolin-4-one has a molecular weight of 265.36 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3-(4-methylphenyl)-2,3-dihydro-1H-quinolin-4-one is sourced from PubChem (CID 58771496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).