6-methyl-2H-benzo[h]isoquinolin-1-one

C14H11NO — CID 10465683

IUPAC6-methyl-2H-benzo[h]isoquinolin-1-one
SMILESCc1cc2cc[nH]c(=O)c2c2ccccc12
InChIInChI=1S/C14H11NO/c1-9-8-10-6-7-15-14(16)13(10)12-5-3-2-4-11(9)12/h2-8H,1H3,(H,15,16)
InChIKeyGUXQXNKEQWPGBY-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.99
Rot. Bonds

About 6-methyl-2H-benzo[h]isoquinolin-1-one

6-methyl-2H-benzo[h]isoquinolin-1-one (PubChem CID 10465683) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 6-methyl-2H-benzo[h]isoquinolin-1-one.

Molecular Properties

Compound Name6-methyl-2H-benzo[h]isoquinolin-1-one
PubChem CID10465683
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name6-methyl-2H-benzo[h]isoquinolin-1-one
SMILESCc1cc2cc[nH]c(=O)c2c2ccccc12
InChIInChI=1S/C14H11NO/c1-9-8-10-6-7-15-14(16)13(10)12-5-3-2-4-11(9)12/h2-8H,1H3,(H,15,16)
InChIKeyGUXQXNKEQWPGBY-UHFFFAOYSA-N
XLogP2.99
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.99
H-Bond Donors ≤ 51
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 6-methyl-2H-benzo[h]isoquinolin-1-one?
The IUPAC name of 6-methyl-2H-benzo[h]isoquinolin-1-one (CID 10465683) is 6-methyl-2H-benzo[h]isoquinolin-1-one.
What is the SMILES notation for 6-methyl-2H-benzo[h]isoquinolin-1-one?
The canonical SMILES for 6-methyl-2H-benzo[h]isoquinolin-1-one is Cc1cc2cc[nH]c(=O)c2c2ccccc12.
What is the InChIKey of 6-methyl-2H-benzo[h]isoquinolin-1-one?
The InChIKey is GUXQXNKEQWPGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c1-9-8-10-6-7-15-14(16)13(10)12-5-3-2-4-11(9)12/h2-8H,1H3,(H,15,16).
What are the key properties of 6-methyl-2H-benzo[h]isoquinolin-1-one?
6-methyl-2H-benzo[h]isoquinolin-1-one has a molecular weight of 209.25 g/mol, XLogP of 2.99, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2H-benzo[h]isoquinolin-1-one is sourced from PubChem (CID 10465683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).