3-(7-fluoro-5-nitroquinolin-8-yl)oxypropan-1-amine

C12H12FN3O3 — CID 83166049

IUPAC3-(7-fluoro-5-nitroquinolin-8-yl)oxypropan-1-amine
SMILESNCCCOc1c(F)cc([N+](=O)[O-])c2cccnc12
InChIInChI=1S/C12H12FN3O3/c13-9-7-10(16(17)18)8-3-1-5-15-11(8)12(9)19-6-2-4-14/h1,3,5,7H,2,4,6,14H2
InChIKeyNQOKHQPJWCPCOL-UHFFFAOYSA-N
MW265.24 g/mol
LogP2.01
Rot. Bonds5

About 3-(7-fluoro-5-nitroquinolin-8-yl)oxypropan-1-amine

3-(7-fluoro-5-nitroquinolin-8-yl)oxypropan-1-amine (PubChem CID 83166049) has the molecular formula C12H12FN3O3 and a molecular weight of 265.24 g/mol. Its IUPAC name is 3-(7-fluoro-5-nitroquinolin-8-yl)oxypropan-1-amine.

Molecular Properties

Compound Name3-(7-fluoro-5-nitroquinolin-8-yl)oxypropan-1-amine
PubChem CID83166049
Molecular FormulaC12H12FN3O3
Molecular Weight265.24 g/mol
Exact Mass265.09
IUPAC Name3-(7-fluoro-5-nitroquinolin-8-yl)oxypropan-1-amine
SMILESNCCCOc1c(F)cc([N+](=O)[O-])c2cccnc12
InChIInChI=1S/C12H12FN3O3/c13-9-7-10(16(17)18)8-3-1-5-15-11(8)12(9)19-6-2-4-14/h1,3,5,7H,2,4,6,14H2
InChIKeyNQOKHQPJWCPCOL-UHFFFAOYSA-N
XLogP2.01
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 52.01
H-Bond Donors ≤ 51
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'-(7-fluoro-5-nitroquinolin-8-yl)propane-1,3-diamine
CID 83164489
5-fluoro-8-methoxy-7-nitroquinoline
CID 166150140
N'-(7-fluoro-5-nitroquinolin-8-yl)-N'-methylethane-1,2-diamine
CID 83165215
N-(3-ethoxypropyl)-7-fluoro-5-nitroquinolin-8-amine
CID 83165001
8-(2-bromo-3-methoxypropyl)-7-fluoro-5-nitroquinoline
CID 83166218
2-[(7-fluoro-5-nitroquinolin-8-yl)-(2-hydroxyethyl)amino]ethanol
CID 83164503
N-butyl-7-fluoro-5-nitroquinolin-8-amine
CID 83165198
4-[(7-fluoro-5-nitroquinolin-8-yl)amino]butanamide
CID 83165202
2-(7-fluoro-5-nitroquinolin-8-yl)sulfanylethanol
CID 83165539
1-(7-fluoro-5-nitroquinolin-8-yl)-N-methylpropan-2-amine
CID 83163979
1-cyclopropyl-2-(7-fluoro-5-nitroquinolin-8-yl)ethanamine
CID 83164334
N'-(8-nitroquinolin-5-yl)butane-1,4-diamine
CID 60895239

Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-5-nitroquinolin-8-yl)oxypropan-1-amine?
The IUPAC name of 3-(7-fluoro-5-nitroquinolin-8-yl)oxypropan-1-amine (CID 83166049) is 3-(7-fluoro-5-nitroquinolin-8-yl)oxypropan-1-amine.
What is the SMILES notation for 3-(7-fluoro-5-nitroquinolin-8-yl)oxypropan-1-amine?
The canonical SMILES for 3-(7-fluoro-5-nitroquinolin-8-yl)oxypropan-1-amine is NCCCOc1c(F)cc([N+](=O)[O-])c2cccnc12.
What is the InChIKey of 3-(7-fluoro-5-nitroquinolin-8-yl)oxypropan-1-amine?
The InChIKey is NQOKHQPJWCPCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O3/c13-9-7-10(16(17)18)8-3-1-5-15-11(8)12(9)19-6-2-4-14/h1,3,5,7H,2,4,6,14H2.
What are the key properties of 3-(7-fluoro-5-nitroquinolin-8-yl)oxypropan-1-amine?
3-(7-fluoro-5-nitroquinolin-8-yl)oxypropan-1-amine has a molecular weight of 265.24 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoro-5-nitroquinolin-8-yl)oxypropan-1-amine is sourced from PubChem (CID 83166049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).