7-methyl-2-(4-methylphenyl)-3H-benzo[h]quinolin-4-one

C21H17NO — CID 175281615

IUPAC7-methyl-2-(4-methylphenyl)-3H-benzo[h]quinolin-4-one
SMILESCc1ccc(C2=Nc3c(ccc4c(C)cccc34)C(=O)C2)cc1
InChIInChI=1S/C21H17NO/c1-13-6-8-15(9-7-13)19-12-20(23)18-11-10-16-14(2)4-3-5-17(16)21(18)22-19/h3-11H,12H2,1-2H3
InChIKeyZSWBTSOALVKWCR-UHFFFAOYSA-N
MW299.37 g/mol
LogP5.16
Rot. Bonds1

About 7-methyl-2-(4-methylphenyl)-3H-benzo[h]quinolin-4-one

7-methyl-2-(4-methylphenyl)-3H-benzo[h]quinolin-4-one (PubChem CID 175281615) has the molecular formula C21H17NO and a molecular weight of 299.37 g/mol. Its IUPAC name is 7-methyl-2-(4-methylphenyl)-3H-benzo[h]quinolin-4-one.

Molecular Properties

Compound Name7-methyl-2-(4-methylphenyl)-3H-benzo[h]quinolin-4-one
PubChem CID175281615
Molecular FormulaC21H17NO
Molecular Weight299.37 g/mol
Exact Mass299.13
IUPAC Name7-methyl-2-(4-methylphenyl)-3H-benzo[h]quinolin-4-one
SMILESCc1ccc(C2=Nc3c(ccc4c(C)cccc34)C(=O)C2)cc1
InChIInChI=1S/C21H17NO/c1-13-6-8-15(9-7-13)19-12-20(23)18-11-10-16-14(2)4-3-5-17(16)21(18)22-19/h3-11H,12H2,1-2H3
InChIKeyZSWBTSOALVKWCR-UHFFFAOYSA-N
XLogP5.16
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.37
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(4-methylphenyl)-3H-benzo[h]quinolin-4-one?
The IUPAC name of 7-methyl-2-(4-methylphenyl)-3H-benzo[h]quinolin-4-one (CID 175281615) is 7-methyl-2-(4-methylphenyl)-3H-benzo[h]quinolin-4-one.
What is the SMILES notation for 7-methyl-2-(4-methylphenyl)-3H-benzo[h]quinolin-4-one?
The canonical SMILES for 7-methyl-2-(4-methylphenyl)-3H-benzo[h]quinolin-4-one is Cc1ccc(C2=Nc3c(ccc4c(C)cccc34)C(=O)C2)cc1.
What is the InChIKey of 7-methyl-2-(4-methylphenyl)-3H-benzo[h]quinolin-4-one?
The InChIKey is ZSWBTSOALVKWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO/c1-13-6-8-15(9-7-13)19-12-20(23)18-11-10-16-14(2)4-3-5-17(16)21(18)22-19/h3-11H,12H2,1-2H3.
What are the key properties of 7-methyl-2-(4-methylphenyl)-3H-benzo[h]quinolin-4-one?
7-methyl-2-(4-methylphenyl)-3H-benzo[h]quinolin-4-one has a molecular weight of 299.37 g/mol, XLogP of 5.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(4-methylphenyl)-3H-benzo[h]quinolin-4-one is sourced from PubChem (CID 175281615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).