N-[(E)-(3-fluorophenyl)methylideneamino]quinolin-4-amine

C16H12FN3 — CID 45481342

IUPACN-[(E)-(3-fluorophenyl)methylideneamino]quinolin-4-amine
SMILESFc1cccc(/C=N/Nc2ccnc3ccccc23)c1
InChIInChI=1S/C16H12FN3/c17-13-5-3-4-12(10-13)11-19-20-16-8-9-18-15-7-2-1-6-14(15)16/h1-11H,(H,18,20)/b19-11+
InChIKeyYUQLTJWAQQMLCY-YBFXNURJSA-N
MW265.29 g/mol
LogP3.82
Rot. Bonds3

About N-[(E)-(3-fluorophenyl)methylideneamino]quinolin-4-amine

N-[(E)-(3-fluorophenyl)methylideneamino]quinolin-4-amine (PubChem CID 45481342) has the molecular formula C16H12FN3 and a molecular weight of 265.29 g/mol. Its IUPAC name is N-[(E)-(3-fluorophenyl)methylideneamino]quinolin-4-amine.

Molecular Properties

Compound NameN-[(E)-(3-fluorophenyl)methylideneamino]quinolin-4-amine
PubChem CID45481342
Molecular FormulaC16H12FN3
Molecular Weight265.29 g/mol
Exact Mass265.10
IUPAC NameN-[(E)-(3-fluorophenyl)methylideneamino]quinolin-4-amine
SMILESFc1cccc(/C=N/Nc2ccnc3ccccc23)c1
InChIInChI=1S/C16H12FN3/c17-13-5-3-4-12(10-13)11-19-20-16-8-9-18-15-7-2-1-6-14(15)16/h1-11H,(H,18,20)/b19-11+
InChIKeyYUQLTJWAQQMLCY-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)-(3-fluorophenyl)methylideneamino]quinolin-4-amine?
The IUPAC name of N-[(E)-(3-fluorophenyl)methylideneamino]quinolin-4-amine (CID 45481342) is N-[(E)-(3-fluorophenyl)methylideneamino]quinolin-4-amine.
What is the SMILES notation for N-[(E)-(3-fluorophenyl)methylideneamino]quinolin-4-amine?
The canonical SMILES for N-[(E)-(3-fluorophenyl)methylideneamino]quinolin-4-amine is Fc1cccc(/C=N/Nc2ccnc3ccccc23)c1.
What is the InChIKey of N-[(E)-(3-fluorophenyl)methylideneamino]quinolin-4-amine?
The InChIKey is YUQLTJWAQQMLCY-YBFXNURJSA-N. The full InChI is InChI=1S/C16H12FN3/c17-13-5-3-4-12(10-13)11-19-20-16-8-9-18-15-7-2-1-6-14(15)16/h1-11H,(H,18,20)/b19-11+.
What are the key properties of N-[(E)-(3-fluorophenyl)methylideneamino]quinolin-4-amine?
N-[(E)-(3-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)-(3-fluorophenyl)methylideneamino]quinolin-4-amine is sourced from PubChem (CID 45481342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).