N-[(2-chlorophenyl)methylideneamino]-6-fluoroquinolin-4-amine

C16H11ClFN3 — CID 44537150

IUPACN-[(2-chlorophenyl)methylideneamino]-6-fluoroquinolin-4-amine
SMILESFc1ccc2nccc(NN=Cc3ccccc3Cl)c2c1
InChIInChI=1S/C16H11ClFN3/c17-14-4-2-1-3-11(14)10-20-21-16-7-8-19-15-6-5-12(18)9-13(15)16/h1-10H,(H,19,21)
InChIKeyMSBSOSBORLNFES-UHFFFAOYSA-N
MW299.74 g/mol
LogP4.47
Rot. Bonds3

About N-[(2-chlorophenyl)methylideneamino]-6-fluoroquinolin-4-amine

N-[(2-chlorophenyl)methylideneamino]-6-fluoroquinolin-4-amine (PubChem CID 44537150) has the molecular formula C16H11ClFN3 and a molecular weight of 299.74 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methylideneamino]-6-fluoroquinolin-4-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methylideneamino]-6-fluoroquinolin-4-amine
PubChem CID44537150
Molecular FormulaC16H11ClFN3
Molecular Weight299.74 g/mol
Exact Mass299.06
IUPAC NameN-[(2-chlorophenyl)methylideneamino]-6-fluoroquinolin-4-amine
SMILESFc1ccc2nccc(NN=Cc3ccccc3Cl)c2c1
InChIInChI=1S/C16H11ClFN3/c17-14-4-2-1-3-11(14)10-20-21-16-7-8-19-15-6-5-12(18)9-13(15)16/h1-10H,(H,19,21)
InChIKeyMSBSOSBORLNFES-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 N-[(2-chlorophenyl)methylideneamino]-6-fluoroquinolin-4-amine?
The IUPAC name of N-[(2-chlorophenyl)methylideneamino]-6-fluoroquinolin-4-amine (CID 44537150) is N-[(2-chlorophenyl)methylideneamino]-6-fluoroquinolin-4-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methylideneamino]-6-fluoroquinolin-4-amine?
The canonical SMILES for N-[(2-chlorophenyl)methylideneamino]-6-fluoroquinolin-4-amine is Fc1ccc2nccc(NN=Cc3ccccc3Cl)c2c1.
What is the InChIKey of N-[(2-chlorophenyl)methylideneamino]-6-fluoroquinolin-4-amine?
The InChIKey is MSBSOSBORLNFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3/c17-14-4-2-1-3-11(14)10-20-21-16-7-8-19-15-6-5-12(18)9-13(15)16/h1-10H,(H,19,21).
What are the key properties of N-[(2-chlorophenyl)methylideneamino]-6-fluoroquinolin-4-amine?
N-[(2-chlorophenyl)methylideneamino]-6-fluoroquinolin-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 N-[(2-chlorophenyl)methylideneamino]-6-fluoroquinolin-4-amine is sourced from PubChem (CID 44537150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).