8-methyl-1-(4-methylphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one

C21H19NO — CID 56663060

IUPAC8-methyl-1-(4-methylphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
SMILESCc1ccc(C2CC(=O)Nc3ccc4cc(C)ccc4c32)cc1
InChIInChI=1S/C21H19NO/c1-13-3-6-15(7-4-13)18-12-20(23)22-19-10-8-16-11-14(2)5-9-17(16)21(18)19/h3-11,18H,12H2,1-2H3,(H,22,23)
InChIKeyLWEKMYBEUVCTHN-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.93
Rot. Bonds1

About 8-methyl-1-(4-methylphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one

8-methyl-1-(4-methylphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one (PubChem CID 56663060) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is 8-methyl-1-(4-methylphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one.

Molecular Properties

Compound Name8-methyl-1-(4-methylphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
PubChem CID56663060
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC Name8-methyl-1-(4-methylphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
SMILESCc1ccc(C2CC(=O)Nc3ccc4cc(C)ccc4c32)cc1
InChIInChI=1S/C21H19NO/c1-13-3-6-15(7-4-13)18-12-20(23)22-19-10-8-16-11-14(2)5-9-17(16)21(18)19/h3-11,18H,12H2,1-2H3,(H,22,23)
InChIKeyLWEKMYBEUVCTHN-UHFFFAOYSA-N
XLogP4.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-(4-methylphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one?
The IUPAC name of 8-methyl-1-(4-methylphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one (CID 56663060) is 8-methyl-1-(4-methylphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one.
What is the SMILES notation for 8-methyl-1-(4-methylphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one?
The canonical SMILES for 8-methyl-1-(4-methylphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one is Cc1ccc(C2CC(=O)Nc3ccc4cc(C)ccc4c32)cc1.
What is the InChIKey of 8-methyl-1-(4-methylphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one?
The InChIKey is LWEKMYBEUVCTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO/c1-13-3-6-15(7-4-13)18-12-20(23)22-19-10-8-16-11-14(2)5-9-17(16)21(18)19/h3-11,18H,12H2,1-2H3,(H,22,23).
What are the key properties of 8-methyl-1-(4-methylphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one?
8-methyl-1-(4-methylphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one has a molecular weight of 301.39 g/mol, XLogP of 4.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-(4-methylphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one is sourced from PubChem (CID 56663060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).