4-methyl-2-naphthalen-2-ylbenzo[h]quinoline

C24H17N — CID 4639371

IUPAC4-methyl-2-naphthalen-2-ylbenzo[h]quinoline
SMILESCc1cc(-c2ccc3ccccc3c2)nc2c1ccc1ccccc12
InChIInChI=1S/C24H17N/c1-16-14-23(20-11-10-17-6-2-3-8-19(17)15-20)25-24-21(16)13-12-18-7-4-5-9-22(18)24/h2-15H,1H3
InChIKeyLDBYBWFHJBBIOD-UHFFFAOYSA-N
MW319.41 g/mol
LogP6.52
Rot. Bonds1

About 4-methyl-2-naphthalen-2-ylbenzo[h]quinoline

4-methyl-2-naphthalen-2-ylbenzo[h]quinoline (PubChem CID 4639371) has the molecular formula C24H17N and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-methyl-2-naphthalen-2-ylbenzo[h]quinoline.

Molecular Properties

Compound Name4-methyl-2-naphthalen-2-ylbenzo[h]quinoline
PubChem CID4639371
Molecular FormulaC24H17N
Molecular Weight319.41 g/mol
Exact Mass319.14
IUPAC Name4-methyl-2-naphthalen-2-ylbenzo[h]quinoline
SMILESCc1cc(-c2ccc3ccccc3c2)nc2c1ccc1ccccc12
InChIInChI=1S/C24H17N/c1-16-14-23(20-11-10-17-6-2-3-8-19(17)15-20)25-24-21(16)13-12-18-7-4-5-9-22(18)24/h2-15H,1H3
InChIKeyLDBYBWFHJBBIOD-UHFFFAOYSA-N
XLogP6.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.41
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-naphthalen-2-ylbenzo[h]quinoline?
The IUPAC name of 4-methyl-2-naphthalen-2-ylbenzo[h]quinoline (CID 4639371) is 4-methyl-2-naphthalen-2-ylbenzo[h]quinoline.
What is the SMILES notation for 4-methyl-2-naphthalen-2-ylbenzo[h]quinoline?
The canonical SMILES for 4-methyl-2-naphthalen-2-ylbenzo[h]quinoline is Cc1cc(-c2ccc3ccccc3c2)nc2c1ccc1ccccc12.
What is the InChIKey of 4-methyl-2-naphthalen-2-ylbenzo[h]quinoline?
The InChIKey is LDBYBWFHJBBIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N/c1-16-14-23(20-11-10-17-6-2-3-8-19(17)15-20)25-24-21(16)13-12-18-7-4-5-9-22(18)24/h2-15H,1H3.
What are the key properties of 4-methyl-2-naphthalen-2-ylbenzo[h]quinoline?
4-methyl-2-naphthalen-2-ylbenzo[h]quinoline has a molecular weight of 319.41 g/mol, XLogP of 6.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-naphthalen-2-ylbenzo[h]quinoline is sourced from PubChem (CID 4639371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).