2-[(7-fluoro-5-nitroquinolin-8-yl)-(2-hydroxyethyl)amino]ethanol

C13H14FN3O4 — CID 83164503

IUPAC2-[(7-fluoro-5-nitroquinolin-8-yl)-(2-hydroxyethyl)amino]ethanol
SMILESO=[N+]([O-])c1cc(F)c(N(CCO)CCO)c2ncccc12
InChIInChI=1S/C13H14FN3O4/c14-10-8-11(17(20)21)9-2-1-3-15-12(9)13(10)16(4-6-18)5-7-19/h1-3,8,18-19H,4-7H2
InChIKeyAJBUFUBXFMQVGJ-UHFFFAOYSA-N
MW295.27 g/mol
LogP1.07
Rot. Bonds6

About 2-[(7-fluoro-5-nitroquinolin-8-yl)-(2-hydroxyethyl)amino]ethanol

2-[(7-fluoro-5-nitroquinolin-8-yl)-(2-hydroxyethyl)amino]ethanol (PubChem CID 83164503) has the molecular formula C13H14FN3O4 and a molecular weight of 295.27 g/mol. Its IUPAC name is 2-[(7-fluoro-5-nitroquinolin-8-yl)-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(7-fluoro-5-nitroquinolin-8-yl)-(2-hydroxyethyl)amino]ethanol
PubChem CID83164503
Molecular FormulaC13H14FN3O4
Molecular Weight295.27 g/mol
Exact Mass295.10
IUPAC Name2-[(7-fluoro-5-nitroquinolin-8-yl)-(2-hydroxyethyl)amino]ethanol
SMILESO=[N+]([O-])c1cc(F)c(N(CCO)CCO)c2ncccc12
InChIInChI=1S/C13H14FN3O4/c14-10-8-11(17(20)21)9-2-1-3-15-12(9)13(10)16(4-6-18)5-7-19/h1-3,8,18-19H,4-7H2
InChIKeyAJBUFUBXFMQVGJ-UHFFFAOYSA-N
XLogP1.07
TPSA99.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 51.07
H-Bond Donors ≤ 52
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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Related Compounds

2-[(7-fluoro-5-nitroquinolin-8-yl)-methylamino]ethanol
CID 83164329
2-[cyclopropyl-(7-fluoro-5-nitroquinolin-8-yl)amino]ethanol
CID 83164161
N'-(7-fluoro-5-nitroquinolin-8-yl)-N'-methylethane-1,2-diamine
CID 83165215
2-(7-fluoro-5-nitroquinolin-8-yl)sulfanylethanol
CID 83165539
N-(azetidin-3-yl)-N-ethyl-7-fluoro-5-nitroquinolin-8-amine
CID 83163760
3-(7-fluoro-5-nitroquinolin-8-yl)oxypropan-1-amine
CID 83166049
[1-(7-fluoro-5-nitroquinolin-8-yl)pyrrolidin-3-yl]methanol
CID 83164690
5-fluoro-8-methoxy-7-nitroquinoline
CID 166150140
2-(5,7-dinitroquinolin-8-yl)sulfanylethanol
CID 2827611
3-(7-fluoro-5-nitroquinolin-8-yl)-4-methylpentan-2-ol
CID 83164695
1-(7-fluoro-5-nitroquinolin-8-yl)-N-methylpropan-2-amine
CID 83163979
1-cyclopropyl-2-(7-fluoro-5-nitroquinolin-8-yl)ethanol
CID 83165720

Frequently Asked Questions

What is the IUPAC name of 2-[(7-fluoro-5-nitroquinolin-8-yl)-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[(7-fluoro-5-nitroquinolin-8-yl)-(2-hydroxyethyl)amino]ethanol (CID 83164503) is 2-[(7-fluoro-5-nitroquinolin-8-yl)-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(7-fluoro-5-nitroquinolin-8-yl)-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[(7-fluoro-5-nitroquinolin-8-yl)-(2-hydroxyethyl)amino]ethanol is O=[N+]([O-])c1cc(F)c(N(CCO)CCO)c2ncccc12.
What is the InChIKey of 2-[(7-fluoro-5-nitroquinolin-8-yl)-(2-hydroxyethyl)amino]ethanol?
The InChIKey is AJBUFUBXFMQVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O4/c14-10-8-11(17(20)21)9-2-1-3-15-12(9)13(10)16(4-6-18)5-7-19/h1-3,8,18-19H,4-7H2.
What are the key properties of 2-[(7-fluoro-5-nitroquinolin-8-yl)-(2-hydroxyethyl)amino]ethanol?
2-[(7-fluoro-5-nitroquinolin-8-yl)-(2-hydroxyethyl)amino]ethanol has a molecular weight of 295.27 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-fluoro-5-nitroquinolin-8-yl)-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 83164503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).