7-fluoro-2,4-dimethylisoquinolin-1-imine

C11H11FN2 — CID 145172215

IUPAC7-fluoro-2,4-dimethylisoquinolin-1-imine
SMILES[H]/N=c1/c2cc(F)ccc2c(C)cn1C
InChIInChI=1S/C11H11FN2/c1-7-6-14(2)11(13)10-5-8(12)3-4-9(7)10/h3-6,13H,1-2H3/b13-11-
InChIKeyMOTVDCGSGXAJCY-QBFSEMIESA-N
MW190.22 g/mol
LogP2.11
Rot. Bonds

About 7-fluoro-2,4-dimethylisoquinolin-1-imine

7-fluoro-2,4-dimethylisoquinolin-1-imine (PubChem CID 145172215) has the molecular formula C11H11FN2 and a molecular weight of 190.22 g/mol. Its IUPAC name is 7-fluoro-2,4-dimethylisoquinolin-1-imine.

Molecular Properties

Compound Name7-fluoro-2,4-dimethylisoquinolin-1-imine
PubChem CID145172215
Molecular FormulaC11H11FN2
Molecular Weight190.22 g/mol
Exact Mass190.09
IUPAC Name7-fluoro-2,4-dimethylisoquinolin-1-imine
SMILES[H]/N=c1/c2cc(F)ccc2c(C)cn1C
InChIInChI=1S/C11H11FN2/c1-7-6-14(2)11(13)10-5-8(12)3-4-9(7)10/h3-6,13H,1-2H3/b13-11-
InChIKeyMOTVDCGSGXAJCY-QBFSEMIESA-N
XLogP2.11
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-fluoro-2,4-dimethylisoquinolin-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2,4-dimethylisoquinolin-1-imine?
The IUPAC name of 7-fluoro-2,4-dimethylisoquinolin-1-imine (CID 145172215) is 7-fluoro-2,4-dimethylisoquinolin-1-imine.
What is the SMILES notation for 7-fluoro-2,4-dimethylisoquinolin-1-imine?
The canonical SMILES for 7-fluoro-2,4-dimethylisoquinolin-1-imine is [H]/N=c1/c2cc(F)ccc2c(C)cn1C.
What is the InChIKey of 7-fluoro-2,4-dimethylisoquinolin-1-imine?
The InChIKey is MOTVDCGSGXAJCY-QBFSEMIESA-N. The full InChI is InChI=1S/C11H11FN2/c1-7-6-14(2)11(13)10-5-8(12)3-4-9(7)10/h3-6,13H,1-2H3/b13-11-.
What are the key properties of 7-fluoro-2,4-dimethylisoquinolin-1-imine?
7-fluoro-2,4-dimethylisoquinolin-1-imine has a molecular weight of 190.22 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2,4-dimethylisoquinolin-1-imine is sourced from PubChem (CID 145172215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).