N'-(7-fluoro-5-nitroquinolin-8-yl)propane-1,3-diamine

C12H13FN4O2 — CID 83164489

IUPACN'-(7-fluoro-5-nitroquinolin-8-yl)propane-1,3-diamine
SMILESNCCCNc1c(F)cc([N+](=O)[O-])c2cccnc12
InChIInChI=1S/C12H13FN4O2/c13-9-7-10(17(18)19)8-3-1-5-15-11(8)12(9)16-6-2-4-14/h1,3,5,7,16H,2,4,6,14H2
InChIKeyGNOVZWJYBGFNDA-UHFFFAOYSA-N
MW264.26 g/mol
LogP2.04
Rot. Bonds5

About N'-(7-fluoro-5-nitroquinolin-8-yl)propane-1,3-diamine

N'-(7-fluoro-5-nitroquinolin-8-yl)propane-1,3-diamine (PubChem CID 83164489) has the molecular formula C12H13FN4O2 and a molecular weight of 264.26 g/mol. Its IUPAC name is N'-(7-fluoro-5-nitroquinolin-8-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(7-fluoro-5-nitroquinolin-8-yl)propane-1,3-diamine
PubChem CID83164489
Molecular FormulaC12H13FN4O2
Molecular Weight264.26 g/mol
Exact Mass264.10
IUPAC NameN'-(7-fluoro-5-nitroquinolin-8-yl)propane-1,3-diamine
SMILESNCCCNc1c(F)cc([N+](=O)[O-])c2cccnc12
InChIInChI=1S/C12H13FN4O2/c13-9-7-10(17(18)19)8-3-1-5-15-11(8)12(9)16-6-2-4-14/h1,3,5,7,16H,2,4,6,14H2
InChIKeyGNOVZWJYBGFNDA-UHFFFAOYSA-N
XLogP2.04
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-butyl-7-fluoro-5-nitroquinolin-8-amine
CID 83165198
4-[(7-fluoro-5-nitroquinolin-8-yl)amino]butanamide
CID 83165202
N-(3-ethoxypropyl)-7-fluoro-5-nitroquinolin-8-amine
CID 83165001
3-(7-fluoro-5-nitroquinolin-8-yl)oxypropan-1-amine
CID 83166049
N'-(8-nitroquinolin-5-yl)butane-1,4-diamine
CID 60895239
3-[[(7-fluoro-5-nitroquinolin-8-yl)amino]methyl]cyclobutan-1-ol
CID 83164841
7-fluoro-N-(2-methylbut-3-yn-2-yl)-5-nitroquinolin-8-amine
CID 83163974
7-fluoro-N-(2-methylpentan-3-yl)-5-nitroquinolin-8-amine
CID 83165391
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
N-(3-aminopropyl)-5-nitroquinoline-8-sulfonamide
CID 120706703
N'-(7-fluoro-5-nitroquinolin-8-yl)-N'-methylethane-1,2-diamine
CID 83165215

Frequently Asked Questions

What is the IUPAC name of N'-(7-fluoro-5-nitroquinolin-8-yl)propane-1,3-diamine?
The IUPAC name of N'-(7-fluoro-5-nitroquinolin-8-yl)propane-1,3-diamine (CID 83164489) is N'-(7-fluoro-5-nitroquinolin-8-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(7-fluoro-5-nitroquinolin-8-yl)propane-1,3-diamine?
The canonical SMILES for N'-(7-fluoro-5-nitroquinolin-8-yl)propane-1,3-diamine is NCCCNc1c(F)cc([N+](=O)[O-])c2cccnc12.
What is the InChIKey of N'-(7-fluoro-5-nitroquinolin-8-yl)propane-1,3-diamine?
The InChIKey is GNOVZWJYBGFNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O2/c13-9-7-10(17(18)19)8-3-1-5-15-11(8)12(9)16-6-2-4-14/h1,3,5,7,16H,2,4,6,14H2.
What are the key properties of N'-(7-fluoro-5-nitroquinolin-8-yl)propane-1,3-diamine?
N'-(7-fluoro-5-nitroquinolin-8-yl)propane-1,3-diamine has a molecular weight of 264.26 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(7-fluoro-5-nitroquinolin-8-yl)propane-1,3-diamine is sourced from PubChem (CID 83164489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).