7-fluoro-5-nitro-N-(1,2-oxazol-3-ylmethyl)quinolin-8-amine

C13H9FN4O3 — CID 83165018

IUPAC7-fluoro-5-nitro-N-(1,2-oxazol-3-ylmethyl)quinolin-8-amine
SMILESO=[N+]([O-])c1cc(F)c(NCc2ccon2)c2ncccc12
InChIInChI=1S/C13H9FN4O3/c14-10-6-11(18(19)20)9-2-1-4-15-12(9)13(10)16-7-8-3-5-21-17-8/h1-6,16H,7H2
InChIKeyWKNFBKSVFOJOPB-UHFFFAOYSA-N
MW288.24 g/mol
LogP2.88
Rot. Bonds4

About 7-fluoro-5-nitro-N-(1,2-oxazol-3-ylmethyl)quinolin-8-amine

7-fluoro-5-nitro-N-(1,2-oxazol-3-ylmethyl)quinolin-8-amine (PubChem CID 83165018) has the molecular formula C13H9FN4O3 and a molecular weight of 288.24 g/mol. Its IUPAC name is 7-fluoro-5-nitro-N-(1,2-oxazol-3-ylmethyl)quinolin-8-amine.

Molecular Properties

Compound Name7-fluoro-5-nitro-N-(1,2-oxazol-3-ylmethyl)quinolin-8-amine
PubChem CID83165018
Molecular FormulaC13H9FN4O3
Molecular Weight288.24 g/mol
Exact Mass288.07
IUPAC Name7-fluoro-5-nitro-N-(1,2-oxazol-3-ylmethyl)quinolin-8-amine
SMILESO=[N+]([O-])c1cc(F)c(NCc2ccon2)c2ncccc12
InChIInChI=1S/C13H9FN4O3/c14-10-6-11(18(19)20)9-2-1-4-15-12(9)13(10)16-7-8-3-5-21-17-8/h1-6,16H,7H2
InChIKeyWKNFBKSVFOJOPB-UHFFFAOYSA-N
XLogP2.88
TPSA94.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.24
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-5-nitro-N-(1,2-oxazol-3-ylmethyl)quinolin-8-amine?
The IUPAC name of 7-fluoro-5-nitro-N-(1,2-oxazol-3-ylmethyl)quinolin-8-amine (CID 83165018) is 7-fluoro-5-nitro-N-(1,2-oxazol-3-ylmethyl)quinolin-8-amine.
What is the SMILES notation for 7-fluoro-5-nitro-N-(1,2-oxazol-3-ylmethyl)quinolin-8-amine?
The canonical SMILES for 7-fluoro-5-nitro-N-(1,2-oxazol-3-ylmethyl)quinolin-8-amine is O=[N+]([O-])c1cc(F)c(NCc2ccon2)c2ncccc12.
What is the InChIKey of 7-fluoro-5-nitro-N-(1,2-oxazol-3-ylmethyl)quinolin-8-amine?
The InChIKey is WKNFBKSVFOJOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4O3/c14-10-6-11(18(19)20)9-2-1-4-15-12(9)13(10)16-7-8-3-5-21-17-8/h1-6,16H,7H2.
What are the key properties of 7-fluoro-5-nitro-N-(1,2-oxazol-3-ylmethyl)quinolin-8-amine?
7-fluoro-5-nitro-N-(1,2-oxazol-3-ylmethyl)quinolin-8-amine has a molecular weight of 288.24 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-nitro-N-(1,2-oxazol-3-ylmethyl)quinolin-8-amine is sourced from PubChem (CID 83165018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).