2-methyl-9bH-benzo[de]quinoline

C13H11N — CID 58939804

IUPAC2-methyl-9bH-benzo[de]quinoline
SMILESCC1=NC2=CC=CC3=CC=CC(=C1)C32
InChIInChI=1S/C13H11N/c1-9-8-11-6-2-4-10-5-3-7-12(14-9)13(10)11/h2-8,13H,1H3
InChIKeyRUJFJXTZCLJFCY-UHFFFAOYSA-N
MW181.24 g/mol
LogP2.95
Rot. Bonds

About 2-methyl-9bH-benzo[de]quinoline

2-methyl-9bH-benzo[de]quinoline (PubChem CID 58939804) has the molecular formula C13H11N and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-methyl-9bH-benzo[de]quinoline.

Molecular Properties

Compound Name2-methyl-9bH-benzo[de]quinoline
PubChem CID58939804
Molecular FormulaC13H11N
Molecular Weight181.24 g/mol
Exact Mass181.09
IUPAC Name2-methyl-9bH-benzo[de]quinoline
SMILESCC1=NC2=CC=CC3=CC=CC(=C1)C32
InChIInChI=1S/C13H11N/c1-9-8-11-6-2-4-10-5-3-7-12(14-9)13(10)11/h2-8,13H,1H3
InChIKeyRUJFJXTZCLJFCY-UHFFFAOYSA-N
XLogP2.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-9bH-benzo[de]quinoline?
The IUPAC name of 2-methyl-9bH-benzo[de]quinoline (CID 58939804) is 2-methyl-9bH-benzo[de]quinoline.
What is the SMILES notation for 2-methyl-9bH-benzo[de]quinoline?
The canonical SMILES for 2-methyl-9bH-benzo[de]quinoline is CC1=NC2=CC=CC3=CC=CC(=C1)C32.
What is the InChIKey of 2-methyl-9bH-benzo[de]quinoline?
The InChIKey is RUJFJXTZCLJFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N/c1-9-8-11-6-2-4-10-5-3-7-12(14-9)13(10)11/h2-8,13H,1H3.
What are the key properties of 2-methyl-9bH-benzo[de]quinoline?
2-methyl-9bH-benzo[de]quinoline has a molecular weight of 181.24 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9bH-benzo[de]quinoline is sourced from PubChem (CID 58939804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).