N-cyclohex-3-en-1-yl-7-fluoro-5-nitroquinolin-8-amine

C15H14FN3O2 — CID 83164838

IUPACN-cyclohex-3-en-1-yl-7-fluoro-5-nitroquinolin-8-amine
SMILESO=[N+]([O-])c1cc(F)c(NC2CC=CCC2)c2ncccc12
InChIInChI=1S/C15H14FN3O2/c16-12-9-13(19(20)21)11-7-4-8-17-14(11)15(12)18-10-5-2-1-3-6-10/h1-2,4,7-10,18H,3,5-6H2
InChIKeyKKOCFSPLIWKZLX-UHFFFAOYSA-N
MW287.29 g/mol
LogP3.80
Rot. Bonds3

About N-cyclohex-3-en-1-yl-7-fluoro-5-nitroquinolin-8-amine

N-cyclohex-3-en-1-yl-7-fluoro-5-nitroquinolin-8-amine (PubChem CID 83164838) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is N-cyclohex-3-en-1-yl-7-fluoro-5-nitroquinolin-8-amine.

Molecular Properties

Compound NameN-cyclohex-3-en-1-yl-7-fluoro-5-nitroquinolin-8-amine
PubChem CID83164838
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC NameN-cyclohex-3-en-1-yl-7-fluoro-5-nitroquinolin-8-amine
SMILESO=[N+]([O-])c1cc(F)c(NC2CC=CCC2)c2ncccc12
InChIInChI=1S/C15H14FN3O2/c16-12-9-13(19(20)21)11-7-4-8-17-14(11)15(12)18-10-5-2-1-3-6-10/h1-2,4,7-10,18H,3,5-6H2
InChIKeyKKOCFSPLIWKZLX-UHFFFAOYSA-N
XLogP3.80
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclohex-3-en-1-yl-3-nitroquinolin-4-amine
CID 103964104
3-[[(7-fluoro-5-nitroquinolin-8-yl)amino]methyl]cyclobutan-1-ol
CID 83164841
N'-(7-fluoro-5-nitroquinolin-8-yl)propane-1,3-diamine
CID 83164489
N-but-3-yn-2-yl-7-fluoro-5-nitroquinolin-8-amine
CID 114418109
N-butyl-7-fluoro-5-nitroquinolin-8-amine
CID 83165198
7-fluoro-N-(2-methylbut-3-yn-2-yl)-5-nitroquinolin-8-amine
CID 83163974
1-cyclopropyl-2-(7-fluoro-5-nitroquinolin-8-yl)ethanol
CID 83165720
1-cyclopropyl-2-(7-fluoro-5-nitroquinolin-8-yl)ethanamine
CID 83164334
7-fluoro-N-(2-methylpentan-3-yl)-5-nitroquinolin-8-amine
CID 83165391
N-(3-ethoxypropyl)-7-fluoro-5-nitroquinolin-8-amine
CID 83165001
4-[(7-fluoro-5-nitroquinolin-8-yl)amino]butanamide
CID 83165202
1-(7-fluoro-5-nitroquinolin-8-yl)-N-methylpropan-2-amine
CID 83163979

Frequently Asked Questions

What is the IUPAC name of N-cyclohex-3-en-1-yl-7-fluoro-5-nitroquinolin-8-amine?
The IUPAC name of N-cyclohex-3-en-1-yl-7-fluoro-5-nitroquinolin-8-amine (CID 83164838) is N-cyclohex-3-en-1-yl-7-fluoro-5-nitroquinolin-8-amine.
What is the SMILES notation for N-cyclohex-3-en-1-yl-7-fluoro-5-nitroquinolin-8-amine?
The canonical SMILES for N-cyclohex-3-en-1-yl-7-fluoro-5-nitroquinolin-8-amine is O=[N+]([O-])c1cc(F)c(NC2CC=CCC2)c2ncccc12.
What is the InChIKey of N-cyclohex-3-en-1-yl-7-fluoro-5-nitroquinolin-8-amine?
The InChIKey is KKOCFSPLIWKZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c16-12-9-13(19(20)21)11-7-4-8-17-14(11)15(12)18-10-5-2-1-3-6-10/h1-2,4,7-10,18H,3,5-6H2.
What are the key properties of N-cyclohex-3-en-1-yl-7-fluoro-5-nitroquinolin-8-amine?
N-cyclohex-3-en-1-yl-7-fluoro-5-nitroquinolin-8-amine has a molecular weight of 287.29 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-3-en-1-yl-7-fluoro-5-nitroquinolin-8-amine is sourced from PubChem (CID 83164838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).