6-methyl-3-([1,3,4]oxadiazino[6,5-b]indol-3-yl)chromen-2-one

C19H11N3O3 — CID 139218793

IUPAC6-methyl-3-([1,3,4]oxadiazino[6,5-b]indol-3-yl)chromen-2-one
SMILESCc1ccc2oc(=O)c(-c3nnc4c5ccccc5nc-4o3)cc2c1
InChIInChI=1S/C19H11N3O3/c1-10-6-7-15-11(8-10)9-13(19(23)24-15)17-22-21-16-12-4-2-3-5-14(12)20-18(16)25-17/h2-9H,1H3
InChIKeyQGGSUJPXEJHBFM-UHFFFAOYSA-N
MW329.32 g/mol
LogP3.80
Rot. Bonds1

About 6-methyl-3-([1,3,4]oxadiazino[6,5-b]indol-3-yl)chromen-2-one

6-methyl-3-([1,3,4]oxadiazino[6,5-b]indol-3-yl)chromen-2-one (PubChem CID 139218793) has the molecular formula C19H11N3O3 and a molecular weight of 329.32 g/mol. Its IUPAC name is 6-methyl-3-([1,3,4]oxadiazino[6,5-b]indol-3-yl)chromen-2-one.

Molecular Properties

Compound Name6-methyl-3-([1,3,4]oxadiazino[6,5-b]indol-3-yl)chromen-2-one
PubChem CID139218793
Molecular FormulaC19H11N3O3
Molecular Weight329.32 g/mol
Exact Mass329.08
IUPAC Name6-methyl-3-([1,3,4]oxadiazino[6,5-b]indol-3-yl)chromen-2-one
SMILESCc1ccc2oc(=O)c(-c3nnc4c5ccccc5nc-4o3)cc2c1
InChIInChI=1S/C19H11N3O3/c1-10-6-7-15-11(8-10)9-13(19(23)24-15)17-22-21-16-12-4-2-3-5-14(12)20-18(16)25-17/h2-9H,1H3
InChIKeyQGGSUJPXEJHBFM-UHFFFAOYSA-N
XLogP3.80
TPSA82.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 132599596
6-methyl-3-(3-methylphenyl)chromen-2-one
CID 56594232
3-(4-methylphenyl)-6-phenylchromen-2-one
CID 89166486
6-methyl-3-(6-methyl-2-oxochromen-4-yl)chromen-2-one
CID 139087005
4-(5-methyl-1-benzofuran-2-yl)phthalazin-1-amine
CID 114734506
3-(2-phenyl-1,8-naphthyridin-3-yl)-[1,3,4]oxadiazino[6,5-b]indole
CID 10738230
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-methylchromen-2-one
CID 20904229
6-bromo-3-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one
CID 22310249
methanol;6-methyl-3-[3-(5-methyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]chromen-2-one
CID 168994885
6-hydroxy-3-(4-methylphenyl)chromen-2-one
CID 56594088
7-methyl-3-(4-phenyl-1,3-oxazol-2-yl)chromen-2-one
CID 162687746
6-chloro-3-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one
CID 1119335

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-([1,3,4]oxadiazino[6,5-b]indol-3-yl)chromen-2-one?
The IUPAC name of 6-methyl-3-([1,3,4]oxadiazino[6,5-b]indol-3-yl)chromen-2-one (CID 139218793) is 6-methyl-3-([1,3,4]oxadiazino[6,5-b]indol-3-yl)chromen-2-one.
What is the SMILES notation for 6-methyl-3-([1,3,4]oxadiazino[6,5-b]indol-3-yl)chromen-2-one?
The canonical SMILES for 6-methyl-3-([1,3,4]oxadiazino[6,5-b]indol-3-yl)chromen-2-one is Cc1ccc2oc(=O)c(-c3nnc4c5ccccc5nc-4o3)cc2c1.
What is the InChIKey of 6-methyl-3-([1,3,4]oxadiazino[6,5-b]indol-3-yl)chromen-2-one?
The InChIKey is QGGSUJPXEJHBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N3O3/c1-10-6-7-15-11(8-10)9-13(19(23)24-15)17-22-21-16-12-4-2-3-5-14(12)20-18(16)25-17/h2-9H,1H3.
What are the key properties of 6-methyl-3-([1,3,4]oxadiazino[6,5-b]indol-3-yl)chromen-2-one?
6-methyl-3-([1,3,4]oxadiazino[6,5-b]indol-3-yl)chromen-2-one has a molecular weight of 329.32 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-([1,3,4]oxadiazino[6,5-b]indol-3-yl)chromen-2-one is sourced from PubChem (CID 139218793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).