6-fluoro-2-quinolin-5-yl-3H-isoindol-1-imine

C17H12FN3 — CID 63291206

IUPAC6-fluoro-2-quinolin-5-yl-3H-isoindol-1-imine
SMILES[H]/N=C1\c2cc(F)ccc2CN1c1cccc2ncccc12
InChIInChI=1S/C17H12FN3/c18-12-7-6-11-10-21(17(19)14(11)9-12)16-5-1-4-15-13(16)3-2-8-20-15/h1-9,19H,10H2/b19-17+
InChIKeyRZWIZAFNJKWTKE-HTXNQAPBSA-N
MW277.30 g/mol
LogP3.72
Rot. Bonds1

About 6-fluoro-2-quinolin-5-yl-3H-isoindol-1-imine

6-fluoro-2-quinolin-5-yl-3H-isoindol-1-imine (PubChem CID 63291206) has the molecular formula C17H12FN3 and a molecular weight of 277.30 g/mol. Its IUPAC name is 6-fluoro-2-quinolin-5-yl-3H-isoindol-1-imine.

Molecular Properties

Compound Name6-fluoro-2-quinolin-5-yl-3H-isoindol-1-imine
PubChem CID63291206
Molecular FormulaC17H12FN3
Molecular Weight277.30 g/mol
Exact Mass277.10
IUPAC Name6-fluoro-2-quinolin-5-yl-3H-isoindol-1-imine
SMILES[H]/N=C1\c2cc(F)ccc2CN1c1cccc2ncccc12
InChIInChI=1S/C17H12FN3/c18-12-7-6-11-10-21(17(19)14(11)9-12)16-5-1-4-15-13(16)3-2-8-20-15/h1-9,19H,10H2/b19-17+
InChIKeyRZWIZAFNJKWTKE-HTXNQAPBSA-N
XLogP3.72
TPSA39.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-quinolin-5-yl-3H-isoindol-1-imine?
The IUPAC name of 6-fluoro-2-quinolin-5-yl-3H-isoindol-1-imine (CID 63291206) is 6-fluoro-2-quinolin-5-yl-3H-isoindol-1-imine.
What is the SMILES notation for 6-fluoro-2-quinolin-5-yl-3H-isoindol-1-imine?
The canonical SMILES for 6-fluoro-2-quinolin-5-yl-3H-isoindol-1-imine is [H]/N=C1\c2cc(F)ccc2CN1c1cccc2ncccc12.
What is the InChIKey of 6-fluoro-2-quinolin-5-yl-3H-isoindol-1-imine?
The InChIKey is RZWIZAFNJKWTKE-HTXNQAPBSA-N. The full InChI is InChI=1S/C17H12FN3/c18-12-7-6-11-10-21(17(19)14(11)9-12)16-5-1-4-15-13(16)3-2-8-20-15/h1-9,19H,10H2/b19-17+.
What are the key properties of 6-fluoro-2-quinolin-5-yl-3H-isoindol-1-imine?
6-fluoro-2-quinolin-5-yl-3H-isoindol-1-imine has a molecular weight of 277.30 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-quinolin-5-yl-3H-isoindol-1-imine is sourced from PubChem (CID 63291206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).