N'-(2-fluorophenyl)-3,4-dihydro-2H-quinoline-1-carboximidamide

C16H16FN3 — CID 18709584

IUPACN'-(2-fluorophenyl)-3,4-dihydro-2H-quinoline-1-carboximidamide
SMILESN/C(=N\c1ccccc1F)N1CCCc2ccccc21
InChIInChI=1S/C16H16FN3/c17-13-8-2-3-9-14(13)19-16(18)20-11-5-7-12-6-1-4-10-15(12)20/h1-4,6,8-10H,5,7,11H2,(H2,18,19)
InChIKeyCORBSRFHKKMKTH-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.22
Rot. Bonds1

About N'-(2-fluorophenyl)-3,4-dihydro-2H-quinoline-1-carboximidamide

N'-(2-fluorophenyl)-3,4-dihydro-2H-quinoline-1-carboximidamide (PubChem CID 18709584) has the molecular formula C16H16FN3 and a molecular weight of 269.32 g/mol. Its IUPAC name is N'-(2-fluorophenyl)-3,4-dihydro-2H-quinoline-1-carboximidamide.

Molecular Properties

Compound NameN'-(2-fluorophenyl)-3,4-dihydro-2H-quinoline-1-carboximidamide
PubChem CID18709584
Molecular FormulaC16H16FN3
Molecular Weight269.32 g/mol
Exact Mass269.13
IUPAC NameN'-(2-fluorophenyl)-3,4-dihydro-2H-quinoline-1-carboximidamide
SMILESN/C(=N\c1ccccc1F)N1CCCc2ccccc21
InChIInChI=1S/C16H16FN3/c17-13-8-2-3-9-14(13)19-16(18)20-11-5-7-12-6-1-4-10-15(12)20/h1-4,6,8-10H,5,7,11H2,(H2,18,19)
InChIKeyCORBSRFHKKMKTH-UHFFFAOYSA-N
XLogP3.22
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorophenyl)-3,4-dihydro-2H-quinoline-1-carboximidamide?
The IUPAC name of N'-(2-fluorophenyl)-3,4-dihydro-2H-quinoline-1-carboximidamide (CID 18709584) is N'-(2-fluorophenyl)-3,4-dihydro-2H-quinoline-1-carboximidamide.
What is the SMILES notation for N'-(2-fluorophenyl)-3,4-dihydro-2H-quinoline-1-carboximidamide?
The canonical SMILES for N'-(2-fluorophenyl)-3,4-dihydro-2H-quinoline-1-carboximidamide is N/C(=N\c1ccccc1F)N1CCCc2ccccc21.
What is the InChIKey of N'-(2-fluorophenyl)-3,4-dihydro-2H-quinoline-1-carboximidamide?
The InChIKey is CORBSRFHKKMKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3/c17-13-8-2-3-9-14(13)19-16(18)20-11-5-7-12-6-1-4-10-15(12)20/h1-4,6,8-10H,5,7,11H2,(H2,18,19).
What are the key properties of N'-(2-fluorophenyl)-3,4-dihydro-2H-quinoline-1-carboximidamide?
N'-(2-fluorophenyl)-3,4-dihydro-2H-quinoline-1-carboximidamide has a molecular weight of 269.32 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorophenyl)-3,4-dihydro-2H-quinoline-1-carboximidamide is sourced from PubChem (CID 18709584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).