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

C16H11ClFN3 — CID 5008472

IUPAC7-chloro-N-[(3-fluorophenyl)methylideneamino]quinolin-4-amine
SMILESFc1cccc(C=NNc2ccnc3cc(Cl)ccc23)c1
InChIInChI=1S/C16H11ClFN3/c17-12-4-5-14-15(6-7-19-16(14)9-12)21-20-10-11-2-1-3-13(18)8-11/h1-10H,(H,19,21)
InChIKeyFSVWKJLMIVYAOI-UHFFFAOYSA-N
MW299.74 g/mol
LogP4.47
Rot. Bonds3

About 7-chloro-N-[(3-fluorophenyl)methylideneamino]quinolin-4-amine

7-chloro-N-[(3-fluorophenyl)methylideneamino]quinolin-4-amine (PubChem CID 5008472) has the molecular formula C16H11ClFN3 and a molecular weight of 299.74 g/mol. Its IUPAC name is 7-chloro-N-[(3-fluorophenyl)methylideneamino]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[(3-fluorophenyl)methylideneamino]quinolin-4-amine
PubChem CID5008472
Molecular FormulaC16H11ClFN3
Molecular Weight299.74 g/mol
Exact Mass299.06
IUPAC Name7-chloro-N-[(3-fluorophenyl)methylideneamino]quinolin-4-amine
SMILESFc1cccc(C=NNc2ccnc3cc(Cl)ccc23)c1
InChIInChI=1S/C16H11ClFN3/c17-12-4-5-14-15(6-7-19-16(14)9-12)21-20-10-11-2-1-3-13(18)8-11/h1-10H,(H,19,21)
InChIKeyFSVWKJLMIVYAOI-UHFFFAOYSA-N
XLogP4.47
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.74
LogP ≤ 54.47
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 7-chloro-N-[(3-fluorophenyl)methylideneamino]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[(3-fluorophenyl)methylideneamino]quinolin-4-amine (CID 5008472) is 7-chloro-N-[(3-fluorophenyl)methylideneamino]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[(3-fluorophenyl)methylideneamino]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[(3-fluorophenyl)methylideneamino]quinolin-4-amine is Fc1cccc(C=NNc2ccnc3cc(Cl)ccc23)c1.
What is the InChIKey of 7-chloro-N-[(3-fluorophenyl)methylideneamino]quinolin-4-amine?
The InChIKey is FSVWKJLMIVYAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3/c17-12-4-5-14-15(6-7-19-16(14)9-12)21-20-10-11-2-1-3-13(18)8-11/h1-10H,(H,19,21).
What are the key properties of 7-chloro-N-[(3-fluorophenyl)methylideneamino]quinolin-4-amine?
7-chloro-N-[(3-fluorophenyl)methylideneamino]quinolin-4-amine has a molecular weight of 299.74 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(3-fluorophenyl)methylideneamino]quinolin-4-amine is sourced from PubChem (CID 5008472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).