(1S)-2-(5-nitroquinolin-8-yl)oxy-1-phenylethanol

C17H14N2O4 — CID 97243367

IUPAC(1S)-2-(5-nitroquinolin-8-yl)oxy-1-phenylethanol
SMILESO=[N+]([O-])c1ccc(OC[C@@H](O)c2ccccc2)c2ncccc12
InChIInChI=1S/C17H14N2O4/c20-15(12-5-2-1-3-6-12)11-23-16-9-8-14(19(21)22)13-7-4-10-18-17(13)16/h1-10,15,20H,11H2/t15-/m1/s1
InChIKeyDCYWZMRVDQHMTB-OAHLLOKOSA-N
MW310.31 g/mol
LogP3.26
Rot. Bonds5

About (1S)-2-(5-nitroquinolin-8-yl)oxy-1-phenylethanol

(1S)-2-(5-nitroquinolin-8-yl)oxy-1-phenylethanol (PubChem CID 97243367) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is (1S)-2-(5-nitroquinolin-8-yl)oxy-1-phenylethanol.

Molecular Properties

Compound Name(1S)-2-(5-nitroquinolin-8-yl)oxy-1-phenylethanol
PubChem CID97243367
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name(1S)-2-(5-nitroquinolin-8-yl)oxy-1-phenylethanol
SMILESO=[N+]([O-])c1ccc(OC[C@@H](O)c2ccccc2)c2ncccc12
InChIInChI=1S/C17H14N2O4/c20-15(12-5-2-1-3-6-12)11-23-16-9-8-14(19(21)22)13-7-4-10-18-17(13)16/h1-10,15,20H,11H2/t15-/m1/s1
InChIKeyDCYWZMRVDQHMTB-OAHLLOKOSA-N
XLogP3.26
TPSA85.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 53.26
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

8-(2-chloroethoxy)-5-nitroquinoline
CID 60863321
2-(5-nitroquinolin-8-yl)oxy-N-phenylacetamide
CID 23935853
2-(5-bromo-2-nitrophenoxy)-1-phenylethanol
CID 67246445
3-(8-nitroquinolin-5-yl)oxypropane-1,2-diol
CID 116525665
4-(2-hydroxy-2-phenylethoxy)-3-nitrobenzaldehyde
CID 60884801
2-[4-(aminomethyl)-2-nitrophenoxy]-1-phenylethanol
CID 60880014
8-methoxy-5-nitroquinoline;nitric acid
CID 17380294
N,N-dibenzyl-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 23738451
tris[(5-nitroquinolin-8-yl)oxymethyl] phosphate
CID 166679929
N'-hydroxy-2-(5-nitroquinolin-8-yl)oxyethanimidamide
CID 71320044
5-nitroquinoline-8-carboxylic acid
CID 15405331
N-(2-benzylphenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 9450716

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(5-nitroquinolin-8-yl)oxy-1-phenylethanol?
The IUPAC name of (1S)-2-(5-nitroquinolin-8-yl)oxy-1-phenylethanol (CID 97243367) is (1S)-2-(5-nitroquinolin-8-yl)oxy-1-phenylethanol.
What is the SMILES notation for (1S)-2-(5-nitroquinolin-8-yl)oxy-1-phenylethanol?
The canonical SMILES for (1S)-2-(5-nitroquinolin-8-yl)oxy-1-phenylethanol is O=[N+]([O-])c1ccc(OC[C@@H](O)c2ccccc2)c2ncccc12.
What is the InChIKey of (1S)-2-(5-nitroquinolin-8-yl)oxy-1-phenylethanol?
The InChIKey is DCYWZMRVDQHMTB-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H14N2O4/c20-15(12-5-2-1-3-6-12)11-23-16-9-8-14(19(21)22)13-7-4-10-18-17(13)16/h1-10,15,20H,11H2/t15-/m1/s1.
What are the key properties of (1S)-2-(5-nitroquinolin-8-yl)oxy-1-phenylethanol?
(1S)-2-(5-nitroquinolin-8-yl)oxy-1-phenylethanol has a molecular weight of 310.31 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(5-nitroquinolin-8-yl)oxy-1-phenylethanol is sourced from PubChem (CID 97243367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).