7-sulfanyl-4H-[1,4]oxazino[3,2-b]quinolin-3-one

C11H8N2O2S — CID 155176000

IUPAC7-sulfanyl-4H-[1,4]oxazino[3,2-b]quinolin-3-one
SMILESO=C1COc2cc3ccc(S)cc3nc2N1
InChIInChI=1S/C11H8N2O2S/c14-10-5-15-9-3-6-1-2-7(16)4-8(6)12-11(9)13-10/h1-4,16H,5H2,(H,12,13,14)
InChIKeyOIHIQVFXTOWAFM-UHFFFAOYSA-N
MW232.26 g/mol
LogP1.85
Rot. Bonds

About 7-sulfanyl-4H-[1,4]oxazino[3,2-b]quinolin-3-one

7-sulfanyl-4H-[1,4]oxazino[3,2-b]quinolin-3-one (PubChem CID 155176000) has the molecular formula C11H8N2O2S and a molecular weight of 232.26 g/mol. Its IUPAC name is 7-sulfanyl-4H-[1,4]oxazino[3,2-b]quinolin-3-one.

Molecular Properties

Compound Name7-sulfanyl-4H-[1,4]oxazino[3,2-b]quinolin-3-one
PubChem CID155176000
Molecular FormulaC11H8N2O2S
Molecular Weight232.26 g/mol
Exact Mass232.03
IUPAC Name7-sulfanyl-4H-[1,4]oxazino[3,2-b]quinolin-3-one
SMILESO=C1COc2cc3ccc(S)cc3nc2N1
InChIInChI=1S/C11H8N2O2S/c14-10-5-15-9-3-6-1-2-7(16)4-8(6)12-11(9)13-10/h1-4,16H,5H2,(H,12,13,14)
InChIKeyOIHIQVFXTOWAFM-UHFFFAOYSA-N
XLogP1.85
TPSA51.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

8-(2,2-dimethylpropyl)-4H-[1,4]oxazino[3,2-b]quinolin-3-one
CID 166974019
7-fluoro-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde
CID 89348149
3-oxo-4H-pyrido[3,2-b][1,4]oxazine-7-carbaldehyde
CID 118380684
6-ethenyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 118798842
2-ethyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one
CID 57250075
6-(4-propan-2-ylphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 117001056
N,3-dioxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide
CID 143404652
7-(2-methoxyphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 117000658
3,9-dioxa-2,12-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-11-one
CID 639377
7-pentan-3-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 126576056
7-[2-[(1S,2R,3S,4R)-4-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-2,3-dihydroxy-1-methylcyclopentyl]ethyl]-4H-[1,4]oxazino[3,2-b]quinolin-3-one
CID 163427907
6-(2-fluorophenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 117001046

Frequently Asked Questions

What is the IUPAC name of 7-sulfanyl-4H-[1,4]oxazino[3,2-b]quinolin-3-one?
The IUPAC name of 7-sulfanyl-4H-[1,4]oxazino[3,2-b]quinolin-3-one (CID 155176000) is 7-sulfanyl-4H-[1,4]oxazino[3,2-b]quinolin-3-one.
What is the SMILES notation for 7-sulfanyl-4H-[1,4]oxazino[3,2-b]quinolin-3-one?
The canonical SMILES for 7-sulfanyl-4H-[1,4]oxazino[3,2-b]quinolin-3-one is O=C1COc2cc3ccc(S)cc3nc2N1.
What is the InChIKey of 7-sulfanyl-4H-[1,4]oxazino[3,2-b]quinolin-3-one?
The InChIKey is OIHIQVFXTOWAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2S/c14-10-5-15-9-3-6-1-2-7(16)4-8(6)12-11(9)13-10/h1-4,16H,5H2,(H,12,13,14).
What are the key properties of 7-sulfanyl-4H-[1,4]oxazino[3,2-b]quinolin-3-one?
7-sulfanyl-4H-[1,4]oxazino[3,2-b]quinolin-3-one has a molecular weight of 232.26 g/mol, XLogP of 1.85, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-sulfanyl-4H-[1,4]oxazino[3,2-b]quinolin-3-one is sourced from PubChem (CID 155176000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).