N-[(E)-(2-fluorophenyl)methylideneamino]quinolin-4-amine

C16H12FN3 — CID 45481082

IUPACN-[(E)-(2-fluorophenyl)methylideneamino]quinolin-4-amine
SMILESFc1ccccc1/C=N/Nc1ccnc2ccccc12
InChIInChI=1S/C16H12FN3/c17-14-7-3-1-5-12(14)11-19-20-16-9-10-18-15-8-4-2-6-13(15)16/h1-11H,(H,18,20)/b19-11+
InChIKeyNNQDPQFGGBVGRR-YBFXNURJSA-N
MW265.29 g/mol
LogP3.82
Rot. Bonds3

About N-[(E)-(2-fluorophenyl)methylideneamino]quinolin-4-amine

N-[(E)-(2-fluorophenyl)methylideneamino]quinolin-4-amine (PubChem CID 45481082) has the molecular formula C16H12FN3 and a molecular weight of 265.29 g/mol. Its IUPAC name is N-[(E)-(2-fluorophenyl)methylideneamino]quinolin-4-amine.

Molecular Properties

Compound NameN-[(E)-(2-fluorophenyl)methylideneamino]quinolin-4-amine
PubChem CID45481082
Molecular FormulaC16H12FN3
Molecular Weight265.29 g/mol
Exact Mass265.10
IUPAC NameN-[(E)-(2-fluorophenyl)methylideneamino]quinolin-4-amine
SMILESFc1ccccc1/C=N/Nc1ccnc2ccccc12
InChIInChI=1S/C16H12FN3/c17-14-7-3-1-5-12(14)11-19-20-16-9-10-18-15-8-4-2-6-13(15)16/h1-11H,(H,18,20)/b19-11+
InChIKeyNNQDPQFGGBVGRR-YBFXNURJSA-N
XLogP3.82
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-fluorophenyl)methylideneamino]quinolin-4-amine?
The IUPAC name of N-[(E)-(2-fluorophenyl)methylideneamino]quinolin-4-amine (CID 45481082) is N-[(E)-(2-fluorophenyl)methylideneamino]quinolin-4-amine.
What is the SMILES notation for N-[(E)-(2-fluorophenyl)methylideneamino]quinolin-4-amine?
The canonical SMILES for N-[(E)-(2-fluorophenyl)methylideneamino]quinolin-4-amine is Fc1ccccc1/C=N/Nc1ccnc2ccccc12.
What is the InChIKey of N-[(E)-(2-fluorophenyl)methylideneamino]quinolin-4-amine?
The InChIKey is NNQDPQFGGBVGRR-YBFXNURJSA-N. The full InChI is InChI=1S/C16H12FN3/c17-14-7-3-1-5-12(14)11-19-20-16-9-10-18-15-8-4-2-6-13(15)16/h1-11H,(H,18,20)/b19-11+.
What are the key properties of N-[(E)-(2-fluorophenyl)methylideneamino]quinolin-4-amine?
N-[(E)-(2-fluorophenyl)methylideneamino]quinolin-4-amine has a molecular weight of 265.29 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-fluorophenyl)methylideneamino]quinolin-4-amine is sourced from PubChem (CID 45481082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).