(5-nitrosoquinolin-8-yl)oxymethyl (2S)-2-hydroxy-2-phenylacetate

C18H14N2O5 — CID 166687165

IUPAC(5-nitrosoquinolin-8-yl)oxymethyl (2S)-2-hydroxy-2-phenylacetate
SMILESO=Nc1ccc(OCOC(=O)[C@@H](O)c2ccccc2)c2ncccc12
InChIInChI=1S/C18H14N2O5/c21-17(12-5-2-1-3-6-12)18(22)25-11-24-15-9-8-14(20-23)13-7-4-10-19-16(13)15/h1-10,17,21H,11H2/t17-/m0/s1
InChIKeyGFZRHJGWHASZRJ-KRWDZBQOSA-N
MW338.32 g/mol
LogP3.25
Rot. Bonds6

About (5-nitrosoquinolin-8-yl)oxymethyl (2S)-2-hydroxy-2-phenylacetate

(5-nitrosoquinolin-8-yl)oxymethyl (2S)-2-hydroxy-2-phenylacetate (PubChem CID 166687165) has the molecular formula C18H14N2O5 and a molecular weight of 338.32 g/mol. Its IUPAC name is (5-nitrosoquinolin-8-yl)oxymethyl (2S)-2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Name(5-nitrosoquinolin-8-yl)oxymethyl (2S)-2-hydroxy-2-phenylacetate
PubChem CID166687165
Molecular FormulaC18H14N2O5
Molecular Weight338.32 g/mol
Exact Mass338.09
IUPAC Name(5-nitrosoquinolin-8-yl)oxymethyl (2S)-2-hydroxy-2-phenylacetate
SMILESO=Nc1ccc(OCOC(=O)[C@@H](O)c2ccccc2)c2ncccc12
InChIInChI=1S/C18H14N2O5/c21-17(12-5-2-1-3-6-12)18(22)25-11-24-15-9-8-14(20-23)13-7-4-10-19-16(13)15/h1-10,17,21H,11H2/t17-/m0/s1
InChIKeyGFZRHJGWHASZRJ-KRWDZBQOSA-N
XLogP3.25
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[5-(naphthalen-1-yldiazenyl)quinolin-8-yl] (3S)-3-phenylbutanoate
CID 101461426
N-[8-(difluoromethoxy)quinolin-5-yl]-2-hydroxy-2-phenylacetamide
CID 111537177
(1S)-2-(5-nitroquinolin-8-yl)oxy-1-phenylethanol
CID 97243367
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
chloromethyl 2-hydroxy-2-phenylacetate
CID 123324758
(2-hydroxy-2-phenylacetyl) 2-hydroxy-2-phenylacetate
CID 14706693
benzyl (2R)-2-hydroxy-2-phenylacetate
CID 853755
10-(2-hydroxy-2-phenylacetyl)oxydecyl 2-hydroxy-2-phenylacetate
CID 123268996
8-phenylmethoxyquinoline-5-sulfonamide
CID 60758024
ethyl 2-hydroxy-2-phenylacetate;methane;dihydrochloride
CID 174768847
sodium;ethyl 2-hydroxy-2-phenylacetate;hydride
CID 175364908
3-(5-aminoquinolin-8-yl)oxy-2-methylpropanamide
CID 60863326

Frequently Asked Questions

What is the IUPAC name of (5-nitrosoquinolin-8-yl)oxymethyl (2S)-2-hydroxy-2-phenylacetate?
The IUPAC name of (5-nitrosoquinolin-8-yl)oxymethyl (2S)-2-hydroxy-2-phenylacetate (CID 166687165) is (5-nitrosoquinolin-8-yl)oxymethyl (2S)-2-hydroxy-2-phenylacetate.
What is the SMILES notation for (5-nitrosoquinolin-8-yl)oxymethyl (2S)-2-hydroxy-2-phenylacetate?
The canonical SMILES for (5-nitrosoquinolin-8-yl)oxymethyl (2S)-2-hydroxy-2-phenylacetate is O=Nc1ccc(OCOC(=O)[C@@H](O)c2ccccc2)c2ncccc12.
What is the InChIKey of (5-nitrosoquinolin-8-yl)oxymethyl (2S)-2-hydroxy-2-phenylacetate?
The InChIKey is GFZRHJGWHASZRJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H14N2O5/c21-17(12-5-2-1-3-6-12)18(22)25-11-24-15-9-8-14(20-23)13-7-4-10-19-16(13)15/h1-10,17,21H,11H2/t17-/m0/s1.
What are the key properties of (5-nitrosoquinolin-8-yl)oxymethyl (2S)-2-hydroxy-2-phenylacetate?
(5-nitrosoquinolin-8-yl)oxymethyl (2S)-2-hydroxy-2-phenylacetate has a molecular weight of 338.32 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-nitrosoquinolin-8-yl)oxymethyl (2S)-2-hydroxy-2-phenylacetate is sourced from PubChem (CID 166687165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).