2-(6-bromoquinolin-2-yl)-1-(4-nitrophenyl)ethanol

C17H13BrN2O3 — CID 71476922

IUPAC2-(6-bromoquinolin-2-yl)-1-(4-nitrophenyl)ethanol
SMILESO=[N+]([O-])c1ccc(C(O)Cc2ccc3cc(Br)ccc3n2)cc1
InChIInChI=1S/C17H13BrN2O3/c18-13-4-8-16-12(9-13)1-5-14(19-16)10-17(21)11-2-6-15(7-3-11)20(22)23/h1-9,17,21H,10H2
InChIKeyVIDGILGZWMLNEB-UHFFFAOYSA-N
MW373.21 g/mol
LogP4.18
Rot. Bonds4

About 2-(6-bromoquinolin-2-yl)-1-(4-nitrophenyl)ethanol

2-(6-bromoquinolin-2-yl)-1-(4-nitrophenyl)ethanol (PubChem CID 71476922) has the molecular formula C17H13BrN2O3 and a molecular weight of 373.21 g/mol. Its IUPAC name is 2-(6-bromoquinolin-2-yl)-1-(4-nitrophenyl)ethanol.

Molecular Properties

Compound Name2-(6-bromoquinolin-2-yl)-1-(4-nitrophenyl)ethanol
PubChem CID71476922
Molecular FormulaC17H13BrN2O3
Molecular Weight373.21 g/mol
Exact Mass372.01
IUPAC Name2-(6-bromoquinolin-2-yl)-1-(4-nitrophenyl)ethanol
SMILESO=[N+]([O-])c1ccc(C(O)Cc2ccc3cc(Br)ccc3n2)cc1
InChIInChI=1S/C17H13BrN2O3/c18-13-4-8-16-12(9-13)1-5-14(19-16)10-17(21)11-2-6-15(7-3-11)20(22)23/h1-9,17,21H,10H2
InChIKeyVIDGILGZWMLNEB-UHFFFAOYSA-N
XLogP4.18
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.21
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(6-nitroquinolin-2-yl)butan-2-ol
CID 63201553
(1R)-1,2-bis(4-nitrophenyl)ethanol
CID 7046140
1-(6-nitroquinolin-2-yl)butan-2-amine
CID 63197200
(3R)-3-hydroxy-3-(4-nitrophenyl)propanal
CID 154717001
6-bromo-2-methoxy-3-(4-nitrophenyl)quinoline
CID 171566035
1-(3-bromo-4-fluorophenyl)-2-(4-nitrophenyl)ethanol
CID 107957861
(1R)-1-phenyl-2-quinolin-2-ylethanol
CID 92849987
1-(4-nitrophenyl)-2-quinolin-4-ylethanol
CID 117066360
2-[2-(3-nitrophenyl)-3-quinolin-2-ylpropyl]quinoline
CID 102496265
3-hydroxy-3-(4-nitrophenyl)propanenitrile
CID 11735665
(1R,3S)-1-(4-nitrophenyl)butane-1,3-diol
CID 54753607
[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-propan-2-ylazanium
CID 6918909

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromoquinolin-2-yl)-1-(4-nitrophenyl)ethanol?
The IUPAC name of 2-(6-bromoquinolin-2-yl)-1-(4-nitrophenyl)ethanol (CID 71476922) is 2-(6-bromoquinolin-2-yl)-1-(4-nitrophenyl)ethanol.
What is the SMILES notation for 2-(6-bromoquinolin-2-yl)-1-(4-nitrophenyl)ethanol?
The canonical SMILES for 2-(6-bromoquinolin-2-yl)-1-(4-nitrophenyl)ethanol is O=[N+]([O-])c1ccc(C(O)Cc2ccc3cc(Br)ccc3n2)cc1.
What is the InChIKey of 2-(6-bromoquinolin-2-yl)-1-(4-nitrophenyl)ethanol?
The InChIKey is VIDGILGZWMLNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O3/c18-13-4-8-16-12(9-13)1-5-14(19-16)10-17(21)11-2-6-15(7-3-11)20(22)23/h1-9,17,21H,10H2.
What are the key properties of 2-(6-bromoquinolin-2-yl)-1-(4-nitrophenyl)ethanol?
2-(6-bromoquinolin-2-yl)-1-(4-nitrophenyl)ethanol has a molecular weight of 373.21 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromoquinolin-2-yl)-1-(4-nitrophenyl)ethanol is sourced from PubChem (CID 71476922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).