2,2,4-trimethyl-1H-benzo[f]isoquinoline

C16H17N — CID 10466168

IUPAC2,2,4-trimethyl-1H-benzo[f]isoquinoline
SMILESCC1=NC(C)(C)Cc2c1ccc1ccccc21
InChIInChI=1S/C16H17N/c1-11-13-9-8-12-6-4-5-7-14(12)15(13)10-16(2,3)17-11/h4-9H,10H2,1-3H3
InChIKeyFJZXLTGNJMUUFM-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.98
Rot. Bonds

About 2,2,4-trimethyl-1H-benzo[f]isoquinoline

2,2,4-trimethyl-1H-benzo[f]isoquinoline (PubChem CID 10466168) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 2,2,4-trimethyl-1H-benzo[f]isoquinoline.

Molecular Properties

Compound Name2,2,4-trimethyl-1H-benzo[f]isoquinoline
PubChem CID10466168
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name2,2,4-trimethyl-1H-benzo[f]isoquinoline
SMILESCC1=NC(C)(C)Cc2c1ccc1ccccc21
InChIInChI=1S/C16H17N/c1-11-13-9-8-12-6-4-5-7-14(12)15(13)10-16(2,3)17-11/h4-9H,10H2,1-3H3
InChIKeyFJZXLTGNJMUUFM-UHFFFAOYSA-N
XLogP3.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-1H-benzo[f]isoquinoline?
The IUPAC name of 2,2,4-trimethyl-1H-benzo[f]isoquinoline (CID 10466168) is 2,2,4-trimethyl-1H-benzo[f]isoquinoline.
What is the SMILES notation for 2,2,4-trimethyl-1H-benzo[f]isoquinoline?
The canonical SMILES for 2,2,4-trimethyl-1H-benzo[f]isoquinoline is CC1=NC(C)(C)Cc2c1ccc1ccccc21.
What is the InChIKey of 2,2,4-trimethyl-1H-benzo[f]isoquinoline?
The InChIKey is FJZXLTGNJMUUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-11-13-9-8-12-6-4-5-7-14(12)15(13)10-16(2,3)17-11/h4-9H,10H2,1-3H3.
What are the key properties of 2,2,4-trimethyl-1H-benzo[f]isoquinoline?
2,2,4-trimethyl-1H-benzo[f]isoquinoline has a molecular weight of 223.32 g/mol, XLogP of 3.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-1H-benzo[f]isoquinoline is sourced from PubChem (CID 10466168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).