8-methyl-5-(4-methylphenyl)-13,14-dihydroquinolino[3,2-a]acridine

C28H24N2 — CID 158800879

IUPAC8-methyl-5-(4-methylphenyl)-13,14-dihydroquinolino[3,2-a]acridine
SMILESCc1ccc(N2c3ccccc3Cc3c2ccc2c3Cc3ccccc3N2C)cc1
InChIInChI=1S/C28H24N2/c1-19-11-13-22(14-12-19)30-26-10-6-4-8-21(26)18-24-23-17-20-7-3-5-9-25(20)29(2)27(23)15-16-28(24)30/h3-16H,17-18H2,1-2H3
InChIKeyORKSDGJVKSGLJD-UHFFFAOYSA-N
MW388.51 g/mol
LogP7.04
Rot. Bonds1

About 8-methyl-5-(4-methylphenyl)-13,14-dihydroquinolino[3,2-a]acridine

8-methyl-5-(4-methylphenyl)-13,14-dihydroquinolino[3,2-a]acridine (PubChem CID 158800879) has the molecular formula C28H24N2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 8-methyl-5-(4-methylphenyl)-13,14-dihydroquinolino[3,2-a]acridine.

Molecular Properties

Compound Name8-methyl-5-(4-methylphenyl)-13,14-dihydroquinolino[3,2-a]acridine
PubChem CID158800879
Molecular FormulaC28H24N2
Molecular Weight388.51 g/mol
Exact Mass388.19
IUPAC Name8-methyl-5-(4-methylphenyl)-13,14-dihydroquinolino[3,2-a]acridine
SMILESCc1ccc(N2c3ccccc3Cc3c2ccc2c3Cc3ccccc3N2C)cc1
InChIInChI=1S/C28H24N2/c1-19-11-13-22(14-12-19)30-26-10-6-4-8-21(26)18-24-23-17-20-7-3-5-9-25(20)29(2)27(23)15-16-28(24)30/h3-16H,17-18H2,1-2H3
InChIKeyORKSDGJVKSGLJD-UHFFFAOYSA-N
XLogP7.04
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms30
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-5-(4-methylphenyl)-13,14-dihydroquinolino[3,2-a]acridine?
The IUPAC name of 8-methyl-5-(4-methylphenyl)-13,14-dihydroquinolino[3,2-a]acridine (CID 158800879) is 8-methyl-5-(4-methylphenyl)-13,14-dihydroquinolino[3,2-a]acridine.
What is the SMILES notation for 8-methyl-5-(4-methylphenyl)-13,14-dihydroquinolino[3,2-a]acridine?
The canonical SMILES for 8-methyl-5-(4-methylphenyl)-13,14-dihydroquinolino[3,2-a]acridine is Cc1ccc(N2c3ccccc3Cc3c2ccc2c3Cc3ccccc3N2C)cc1.
What is the InChIKey of 8-methyl-5-(4-methylphenyl)-13,14-dihydroquinolino[3,2-a]acridine?
The InChIKey is ORKSDGJVKSGLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2/c1-19-11-13-22(14-12-19)30-26-10-6-4-8-21(26)18-24-23-17-20-7-3-5-9-25(20)29(2)27(23)15-16-28(24)30/h3-16H,17-18H2,1-2H3.
What are the key properties of 8-methyl-5-(4-methylphenyl)-13,14-dihydroquinolino[3,2-a]acridine?
8-methyl-5-(4-methylphenyl)-13,14-dihydroquinolino[3,2-a]acridine has a molecular weight of 388.51 g/mol, XLogP of 7.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5-(4-methylphenyl)-13,14-dihydroquinolino[3,2-a]acridine is sourced from PubChem (CID 158800879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).