3-(8-nitroquinolin-5-yl)oxypropane-1,2-diol

C12H12N2O5 — CID 116525665

IUPAC3-(8-nitroquinolin-5-yl)oxypropane-1,2-diol
SMILESO=[N+]([O-])c1ccc(OCC(O)CO)c2cccnc12
InChIInChI=1S/C12H12N2O5/c15-6-8(16)7-19-11-4-3-10(14(17)18)12-9(11)2-1-5-13-12/h1-5,8,15-16H,6-7H2
InChIKeyUVEPRGCKEFOTMB-UHFFFAOYSA-N
MW264.24 g/mol
LogP0.88
Rot. Bonds5

About 3-(8-nitroquinolin-5-yl)oxypropane-1,2-diol

3-(8-nitroquinolin-5-yl)oxypropane-1,2-diol (PubChem CID 116525665) has the molecular formula C12H12N2O5 and a molecular weight of 264.24 g/mol. Its IUPAC name is 3-(8-nitroquinolin-5-yl)oxypropane-1,2-diol.

Molecular Properties

Compound Name3-(8-nitroquinolin-5-yl)oxypropane-1,2-diol
PubChem CID116525665
Molecular FormulaC12H12N2O5
Molecular Weight264.24 g/mol
Exact Mass264.07
IUPAC Name3-(8-nitroquinolin-5-yl)oxypropane-1,2-diol
SMILESO=[N+]([O-])c1ccc(OCC(O)CO)c2cccnc12
InChIInChI=1S/C12H12N2O5/c15-6-8(16)7-19-11-4-3-10(14(17)18)12-9(11)2-1-5-13-12/h1-5,8,15-16H,6-7H2
InChIKeyUVEPRGCKEFOTMB-UHFFFAOYSA-N
XLogP0.88
TPSA105.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 50.88
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

1-(ethylamino)-3-(8-nitroquinolin-5-yl)oxypropan-2-ol
CID 116525049
5-(2-bromo-3,3,3-trifluoropropoxy)-8-nitroquinoline
CID 116525103
trifluoro-[(8-nitroquinolin-5-yl)oxymethyl]boranuide
CID 116525706
2,2-dimethyl-3-(8-nitroquinolin-5-yl)oxypropanoic acid
CID 116524918
(8-nitroquinolin-5-yl) carbonochloridate
CID 116525781
(1S)-2-(5-nitroquinolin-8-yl)oxy-1-phenylethanol
CID 97243367
methyl 2-(8-nitroquinolin-5-yl)oxypropanoate
CID 116524927
3-(5-nitroquinolin-8-yl)sulfanylpropane-1,2-diol
CID 79683275
3-(8-nitroquinolin-5-yl)oxypropanehydrazide
CID 116525701
N'-hydroxy-2-(8-nitroquinolin-5-yl)oxybutanimidamide
CID 116525378
5-(8-nitroquinolin-5-yl)oxypyrazin-2-amine
CID 116525775
(2R)-3-(2-methyl-3-nitrophenoxy)propane-1,2-diol
CID 13192797

Frequently Asked Questions

What is the IUPAC name of 3-(8-nitroquinolin-5-yl)oxypropane-1,2-diol?
The IUPAC name of 3-(8-nitroquinolin-5-yl)oxypropane-1,2-diol (CID 116525665) is 3-(8-nitroquinolin-5-yl)oxypropane-1,2-diol.
What is the SMILES notation for 3-(8-nitroquinolin-5-yl)oxypropane-1,2-diol?
The canonical SMILES for 3-(8-nitroquinolin-5-yl)oxypropane-1,2-diol is O=[N+]([O-])c1ccc(OCC(O)CO)c2cccnc12.
What is the InChIKey of 3-(8-nitroquinolin-5-yl)oxypropane-1,2-diol?
The InChIKey is UVEPRGCKEFOTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5/c15-6-8(16)7-19-11-4-3-10(14(17)18)12-9(11)2-1-5-13-12/h1-5,8,15-16H,6-7H2.
What are the key properties of 3-(8-nitroquinolin-5-yl)oxypropane-1,2-diol?
3-(8-nitroquinolin-5-yl)oxypropane-1,2-diol has a molecular weight of 264.24 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-nitroquinolin-5-yl)oxypropane-1,2-diol is sourced from PubChem (CID 116525665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).