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

C12H12FN3O3 — CID 83164329

IUPAC2-[(7-fluoro-5-nitroquinolin-8-yl)-methylamino]ethanol
SMILESCN(CCO)c1c(F)cc([N+](=O)[O-])c2cccnc12
InChIInChI=1S/C12H12FN3O3/c1-15(5-6-17)12-9(13)7-10(16(18)19)8-3-2-4-14-11(8)12/h2-4,7,17H,5-6H2,1H3
InChIKeyPOTDNOMVEWNESV-UHFFFAOYSA-N
MW265.24 g/mol
LogP1.71
Rot. Bonds4

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

2-[(7-fluoro-5-nitroquinolin-8-yl)-methylamino]ethanol (PubChem CID 83164329) has the molecular formula C12H12FN3O3 and a molecular weight of 265.24 g/mol. Its IUPAC name is 2-[(7-fluoro-5-nitroquinolin-8-yl)-methylamino]ethanol.

Molecular Properties

Compound Name2-[(7-fluoro-5-nitroquinolin-8-yl)-methylamino]ethanol
PubChem CID83164329
Molecular FormulaC12H12FN3O3
Molecular Weight265.24 g/mol
Exact Mass265.09
IUPAC Name2-[(7-fluoro-5-nitroquinolin-8-yl)-methylamino]ethanol
SMILESCN(CCO)c1c(F)cc([N+](=O)[O-])c2cccnc12
InChIInChI=1S/C12H12FN3O3/c1-15(5-6-17)12-9(13)7-10(16(18)19)8-3-2-4-14-11(8)12/h2-4,7,17H,5-6H2,1H3
InChIKeyPOTDNOMVEWNESV-UHFFFAOYSA-N
XLogP1.71
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-(2-hydroxyethyl)amino]ethanol
CID 83164503
N'-(7-fluoro-5-nitroquinolin-8-yl)-N'-methylethane-1,2-diamine
CID 83165215
2-[cyclopropyl-(7-fluoro-5-nitroquinolin-8-yl)amino]ethanol
CID 83164161
2-(7-fluoro-5-nitroquinolin-8-yl)sulfanylethanol
CID 83165539
N-(azetidin-3-yl)-N-ethyl-7-fluoro-5-nitroquinolin-8-amine
CID 83163760
5-fluoro-8-methoxy-7-nitroquinoline
CID 166150140
1-(7-fluoro-5-nitroquinolin-8-yl)-N-methylpropan-2-amine
CID 83163979
3-(7-fluoro-5-nitroquinolin-8-yl)-4-methylpentan-2-ol
CID 83164695
1-(7-fluoro-5-nitroquinolin-8-yl)pentan-2-ol
CID 83165223
3-(7-fluoro-5-nitroquinolin-8-yl)oxypropan-1-amine
CID 83166049
3-(7-fluoro-5-nitroquinolin-8-yl)sulfanylbutan-2-ol
CID 107771097
[1-(7-fluoro-5-nitroquinolin-8-yl)pyrrolidin-3-yl]methanol
CID 83164690

Frequently Asked Questions

What is the IUPAC name of 2-[(7-fluoro-5-nitroquinolin-8-yl)-methylamino]ethanol?
The IUPAC name of 2-[(7-fluoro-5-nitroquinolin-8-yl)-methylamino]ethanol (CID 83164329) is 2-[(7-fluoro-5-nitroquinolin-8-yl)-methylamino]ethanol.
What is the SMILES notation for 2-[(7-fluoro-5-nitroquinolin-8-yl)-methylamino]ethanol?
The canonical SMILES for 2-[(7-fluoro-5-nitroquinolin-8-yl)-methylamino]ethanol is CN(CCO)c1c(F)cc([N+](=O)[O-])c2cccnc12.
What is the InChIKey of 2-[(7-fluoro-5-nitroquinolin-8-yl)-methylamino]ethanol?
The InChIKey is POTDNOMVEWNESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O3/c1-15(5-6-17)12-9(13)7-10(16(18)19)8-3-2-4-14-11(8)12/h2-4,7,17H,5-6H2,1H3.
What are the key properties of 2-[(7-fluoro-5-nitroquinolin-8-yl)-methylamino]ethanol?
2-[(7-fluoro-5-nitroquinolin-8-yl)-methylamino]ethanol has a molecular weight of 265.24 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-fluoro-5-nitroquinolin-8-yl)-methylamino]ethanol is sourced from PubChem (CID 83164329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).