6-fluoro-7-isocyanoimidazo[2,1-a]isoquinoline

C12H6FN3 — CID 58517685

IUPAC6-fluoro-7-isocyanoimidazo[2,1-a]isoquinoline
SMILES[C-]#[N+]c1cccc2c1c(F)cn1ccnc21
InChIInChI=1S/C12H6FN3/c1-14-10-4-2-3-8-11(10)9(13)7-16-6-5-15-12(8)16/h2-7H
InChIKeyZTTWEDACVVSNFJ-UHFFFAOYSA-N
MW211.20 g/mol
LogP3.18
Rot. Bonds

About 6-fluoro-7-isocyanoimidazo[2,1-a]isoquinoline

6-fluoro-7-isocyanoimidazo[2,1-a]isoquinoline (PubChem CID 58517685) has the molecular formula C12H6FN3 and a molecular weight of 211.20 g/mol. Its IUPAC name is 6-fluoro-7-isocyanoimidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name6-fluoro-7-isocyanoimidazo[2,1-a]isoquinoline
PubChem CID58517685
Molecular FormulaC12H6FN3
Molecular Weight211.20 g/mol
Exact Mass211.05
IUPAC Name6-fluoro-7-isocyanoimidazo[2,1-a]isoquinoline
SMILES[C-]#[N+]c1cccc2c1c(F)cn1ccnc21
InChIInChI=1S/C12H6FN3/c1-14-10-4-2-3-8-11(10)9(13)7-16-6-5-15-12(8)16/h2-7H
InChIKeyZTTWEDACVVSNFJ-UHFFFAOYSA-N
XLogP3.18
TPSA21.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.20
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 6-fluoro-7-isocyanoimidazo[2,1-a]isoquinoline with MolForge

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

Launch Full Analysis

Related Compounds

5-fluoro-7-isocyanoimidazo[2,1-a]isoquinoline
CID 58517633
6-phenylimidazo[2,1-a]isoquinoline
CID 58517625
6-tert-butylimidazo[2,1-a]isoquinoline
CID 58518039
7-chloroimidazo[2,1-a]isoquinoline
CID 58517958
3-fluoro-1-methylpyrrolo[2,3-b]pyridine
CID 153487723
hydron;imidazo[1,2-c]quinazoline
CID 174874267
6-isocyanoimidazo[1,2-a]pyrazine
CID 88949385
6-bromo-N-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 79958774
7-quinolin-8-ylimidazo[2,1-a]isoquinoline
CID 58517751
9-phenylimidazo[1,2-f]phenanthridine
CID 59358454
9-fluoro-5-isocyanobenzimidazolo[2,1-a]isoquinoline
CID 58517708
8-fluoroimidazo[1,2-c]pyrimidine
CID 67486651

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-isocyanoimidazo[2,1-a]isoquinoline?
The IUPAC name of 6-fluoro-7-isocyanoimidazo[2,1-a]isoquinoline (CID 58517685) is 6-fluoro-7-isocyanoimidazo[2,1-a]isoquinoline.
What is the SMILES notation for 6-fluoro-7-isocyanoimidazo[2,1-a]isoquinoline?
The canonical SMILES for 6-fluoro-7-isocyanoimidazo[2,1-a]isoquinoline is [C-]#[N+]c1cccc2c1c(F)cn1ccnc21.
What is the InChIKey of 6-fluoro-7-isocyanoimidazo[2,1-a]isoquinoline?
The InChIKey is ZTTWEDACVVSNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6FN3/c1-14-10-4-2-3-8-11(10)9(13)7-16-6-5-15-12(8)16/h2-7H.
What are the key properties of 6-fluoro-7-isocyanoimidazo[2,1-a]isoquinoline?
6-fluoro-7-isocyanoimidazo[2,1-a]isoquinoline has a molecular weight of 211.20 g/mol, XLogP of 3.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-isocyanoimidazo[2,1-a]isoquinoline is sourced from PubChem (CID 58517685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).