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

C17H19N — CID 3130838

IUPAC1,2,2,4-tetramethyl-1H-benzo[f]isoquinoline
SMILESCC1=NC(C)(C)C(C)c2c1ccc1ccccc21
InChIInChI=1S/C17H19N/c1-11-16-14(12(2)18-17(11,3)4)10-9-13-7-5-6-8-15(13)16/h5-11H,1-4H3
InChIKeyIJKSFQSCURXWCO-UHFFFAOYSA-N
MW237.35 g/mol
LogP4.54
Rot. Bonds

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

1,2,2,4-tetramethyl-1H-benzo[f]isoquinoline (PubChem CID 3130838) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 1,2,2,4-tetramethyl-1H-benzo[f]isoquinoline.

Molecular Properties

Compound Name1,2,2,4-tetramethyl-1H-benzo[f]isoquinoline
PubChem CID3130838
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name1,2,2,4-tetramethyl-1H-benzo[f]isoquinoline
SMILESCC1=NC(C)(C)C(C)c2c1ccc1ccccc21
InChIInChI=1S/C17H19N/c1-11-16-14(12(2)18-17(11,3)4)10-9-13-7-5-6-8-15(13)16/h5-11H,1-4H3
InChIKeyIJKSFQSCURXWCO-UHFFFAOYSA-N
XLogP4.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,4-tetramethyl-1H-benzo[f]isoquinoline?
The IUPAC name of 1,2,2,4-tetramethyl-1H-benzo[f]isoquinoline (CID 3130838) is 1,2,2,4-tetramethyl-1H-benzo[f]isoquinoline.
What is the SMILES notation for 1,2,2,4-tetramethyl-1H-benzo[f]isoquinoline?
The canonical SMILES for 1,2,2,4-tetramethyl-1H-benzo[f]isoquinoline is CC1=NC(C)(C)C(C)c2c1ccc1ccccc21.
What is the InChIKey of 1,2,2,4-tetramethyl-1H-benzo[f]isoquinoline?
The InChIKey is IJKSFQSCURXWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-11-16-14(12(2)18-17(11,3)4)10-9-13-7-5-6-8-15(13)16/h5-11H,1-4H3.
What are the key properties of 1,2,2,4-tetramethyl-1H-benzo[f]isoquinoline?
1,2,2,4-tetramethyl-1H-benzo[f]isoquinoline has a molecular weight of 237.35 g/mol, XLogP of 4.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,4-tetramethyl-1H-benzo[f]isoquinoline is sourced from PubChem (CID 3130838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).