7-fluoro-N-[(3-nitrophenyl)methylideneamino]quinolin-4-amine

C16H11FN4O2 — CID 44537125

IUPAC7-fluoro-N-[(3-nitrophenyl)methylideneamino]quinolin-4-amine
SMILESO=[N+]([O-])c1cccc(C=NNc2ccnc3cc(F)ccc23)c1
InChIInChI=1S/C16H11FN4O2/c17-12-4-5-14-15(6-7-18-16(14)9-12)20-19-10-11-2-1-3-13(8-11)21(22)23/h1-10H,(H,18,20)
InChIKeyAKMKMPPMMDGRHI-UHFFFAOYSA-N
MW310.29 g/mol
LogP3.73
Rot. Bonds4

About 7-fluoro-N-[(3-nitrophenyl)methylideneamino]quinolin-4-amine

7-fluoro-N-[(3-nitrophenyl)methylideneamino]quinolin-4-amine (PubChem CID 44537125) has the molecular formula C16H11FN4O2 and a molecular weight of 310.29 g/mol. Its IUPAC name is 7-fluoro-N-[(3-nitrophenyl)methylideneamino]quinolin-4-amine.

Molecular Properties

Compound Name7-fluoro-N-[(3-nitrophenyl)methylideneamino]quinolin-4-amine
PubChem CID44537125
Molecular FormulaC16H11FN4O2
Molecular Weight310.29 g/mol
Exact Mass310.09
IUPAC Name7-fluoro-N-[(3-nitrophenyl)methylideneamino]quinolin-4-amine
SMILESO=[N+]([O-])c1cccc(C=NNc2ccnc3cc(F)ccc23)c1
InChIInChI=1S/C16H11FN4O2/c17-12-4-5-14-15(6-7-18-16(14)9-12)20-19-10-11-2-1-3-13(8-11)21(22)23/h1-10H,(H,18,20)
InChIKeyAKMKMPPMMDGRHI-UHFFFAOYSA-N
XLogP3.73
TPSA80.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.29
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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-fluoro-N-[(3-nitrophenyl)methylideneamino]quinolin-4-amine?
The IUPAC name of 7-fluoro-N-[(3-nitrophenyl)methylideneamino]quinolin-4-amine (CID 44537125) is 7-fluoro-N-[(3-nitrophenyl)methylideneamino]quinolin-4-amine.
What is the SMILES notation for 7-fluoro-N-[(3-nitrophenyl)methylideneamino]quinolin-4-amine?
The canonical SMILES for 7-fluoro-N-[(3-nitrophenyl)methylideneamino]quinolin-4-amine is O=[N+]([O-])c1cccc(C=NNc2ccnc3cc(F)ccc23)c1.
What is the InChIKey of 7-fluoro-N-[(3-nitrophenyl)methylideneamino]quinolin-4-amine?
The InChIKey is AKMKMPPMMDGRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4O2/c17-12-4-5-14-15(6-7-18-16(14)9-12)20-19-10-11-2-1-3-13(8-11)21(22)23/h1-10H,(H,18,20).
What are the key properties of 7-fluoro-N-[(3-nitrophenyl)methylideneamino]quinolin-4-amine?
7-fluoro-N-[(3-nitrophenyl)methylideneamino]quinolin-4-amine has a molecular weight of 310.29 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[(3-nitrophenyl)methylideneamino]quinolin-4-amine is sourced from PubChem (CID 44537125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).