N-butyl-7-fluoro-5-nitroquinolin-8-amine

C13H14FN3O2 — CID 83165198

IUPACN-butyl-7-fluoro-5-nitroquinolin-8-amine
SMILESCCCCNc1c(F)cc([N+](=O)[O-])c2cccnc12
InChIInChI=1S/C13H14FN3O2/c1-2-3-6-16-13-10(14)8-11(17(18)19)9-5-4-7-15-12(9)13/h4-5,7-8,16H,2-3,6H2,1H3
InChIKeyWHPKBPPHOIFVJZ-UHFFFAOYSA-N
MW263.27 g/mol
LogP3.49
Rot. Bonds5

About N-butyl-7-fluoro-5-nitroquinolin-8-amine

N-butyl-7-fluoro-5-nitroquinolin-8-amine (PubChem CID 83165198) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is N-butyl-7-fluoro-5-nitroquinolin-8-amine.

Molecular Properties

Compound NameN-butyl-7-fluoro-5-nitroquinolin-8-amine
PubChem CID83165198
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC NameN-butyl-7-fluoro-5-nitroquinolin-8-amine
SMILESCCCCNc1c(F)cc([N+](=O)[O-])c2cccnc12
InChIInChI=1S/C13H14FN3O2/c1-2-3-6-16-13-10(14)8-11(17(18)19)9-5-4-7-15-12(9)13/h4-5,7-8,16H,2-3,6H2,1H3
InChIKeyWHPKBPPHOIFVJZ-UHFFFAOYSA-N
XLogP3.49
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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'-(7-fluoro-5-nitroquinolin-8-yl)propane-1,3-diamine
CID 83164489
N-(3-ethoxypropyl)-7-fluoro-5-nitroquinolin-8-amine
CID 83165001
4-[(7-fluoro-5-nitroquinolin-8-yl)amino]butanamide
CID 83165202
7-fluoro-N-(2-methylpentan-3-yl)-5-nitroquinolin-8-amine
CID 83165391
7-fluoro-N-(2-methylbut-3-yn-2-yl)-5-nitroquinolin-8-amine
CID 83163974
3-[[(7-fluoro-5-nitroquinolin-8-yl)amino]methyl]cyclobutan-1-ol
CID 83164841
N-but-3-yn-2-yl-7-fluoro-5-nitroquinolin-8-amine
CID 114418109
N,N'-bis(5-nitroquinolin-8-yl)butane-1,4-diamine
CID 3119298
1-(7-fluoro-5-nitroquinolin-8-yl)-N-methylpropan-2-amine
CID 83163979
1-(7-fluoro-5-nitroquinolin-8-yl)pentan-2-ol
CID 83165223
3-(7-fluoro-5-nitroquinolin-8-yl)oxypropan-1-amine
CID 83166049
8-N-[3-(diethylamino)propyl]-7-fluoroquinoline-5,8-diamine
CID 83163867

Frequently Asked Questions

What is the IUPAC name of N-butyl-7-fluoro-5-nitroquinolin-8-amine?
The IUPAC name of N-butyl-7-fluoro-5-nitroquinolin-8-amine (CID 83165198) is N-butyl-7-fluoro-5-nitroquinolin-8-amine.
What is the SMILES notation for N-butyl-7-fluoro-5-nitroquinolin-8-amine?
The canonical SMILES for N-butyl-7-fluoro-5-nitroquinolin-8-amine is CCCCNc1c(F)cc([N+](=O)[O-])c2cccnc12.
What is the InChIKey of N-butyl-7-fluoro-5-nitroquinolin-8-amine?
The InChIKey is WHPKBPPHOIFVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-2-3-6-16-13-10(14)8-11(17(18)19)9-5-4-7-15-12(9)13/h4-5,7-8,16H,2-3,6H2,1H3.
What are the key properties of N-butyl-7-fluoro-5-nitroquinolin-8-amine?
N-butyl-7-fluoro-5-nitroquinolin-8-amine has a molecular weight of 263.27 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-7-fluoro-5-nitroquinolin-8-amine is sourced from PubChem (CID 83165198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).