1-(4-chlorophenyl)-8-methoxy-[1,2,5]oxadiazino[5,4-a]indol-4-one

C17H11ClN2O3 — CID 11551597

IUPAC1-(4-chlorophenyl)-8-methoxy-[1,2,5]oxadiazino[5,4-a]indol-4-one
SMILESCOc1ccc2c(c1)cc1c(-c3ccc(Cl)cc3)noc(=O)n12
InChIInChI=1S/C17H11ClN2O3/c1-22-13-6-7-14-11(8-13)9-15-16(19-23-17(21)20(14)15)10-2-4-12(18)5-3-10/h2-9H,1H3
InChIKeyNMPIZZNVQHOTNE-UHFFFAOYSA-N
MW326.74 g/mol
LogP3.77
Rot. Bonds2

About 1-(4-chlorophenyl)-8-methoxy-[1,2,5]oxadiazino[5,4-a]indol-4-one

1-(4-chlorophenyl)-8-methoxy-[1,2,5]oxadiazino[5,4-a]indol-4-one (PubChem CID 11551597) has the molecular formula C17H11ClN2O3 and a molecular weight of 326.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-8-methoxy-[1,2,5]oxadiazino[5,4-a]indol-4-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-8-methoxy-[1,2,5]oxadiazino[5,4-a]indol-4-one
PubChem CID11551597
Molecular FormulaC17H11ClN2O3
Molecular Weight326.74 g/mol
Exact Mass326.05
IUPAC Name1-(4-chlorophenyl)-8-methoxy-[1,2,5]oxadiazino[5,4-a]indol-4-one
SMILESCOc1ccc2c(c1)cc1c(-c3ccc(Cl)cc3)noc(=O)n12
InChIInChI=1S/C17H11ClN2O3/c1-22-13-6-7-14-11(8-13)9-15-16(19-23-17(21)20(14)15)10-2-4-12(18)5-3-10/h2-9H,1H3
InChIKeyNMPIZZNVQHOTNE-UHFFFAOYSA-N
XLogP3.77
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.74
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-methoxy-1-phenyl-[1,2,5]oxadiazino[5,4-a]indol-4-one
CID 11702027
8-methoxy-1-(3-methoxyphenyl)-[1,2,5]oxadiazino[5,4-a]indol-4-one
CID 11695477
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-methoxychromen-2-one
CID 20904206
4,5-dichloro-3-(4-methoxyphenyl)-1,2-oxazole
CID 131867696
2-(4-chlorophenyl)-6-methoxynaphthalene
CID 45156517
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
9-chloro-2-(4-methoxyphenyl)-6H-triazolo[1,2-a][1,2,4]benzotriazine-1,5-dione
CID 11405145
2-[(Z)-2-(4-chlorophenyl)ethenyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one
CID 10225498
2-(4-chlorophenyl)-7-methoxynaphthalene
CID 54239176
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-(3-methoxyphenyl)isoquinolin-1-one
CID 53082056
2-(4-chlorophenyl)-6-methoxy-3,1-benzoxazin-4-one
CID 71330911
4-(4-chlorophenyl)-1,6-dimethoxyquinolin-2-one
CID 135058824

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-8-methoxy-[1,2,5]oxadiazino[5,4-a]indol-4-one?
The IUPAC name of 1-(4-chlorophenyl)-8-methoxy-[1,2,5]oxadiazino[5,4-a]indol-4-one (CID 11551597) is 1-(4-chlorophenyl)-8-methoxy-[1,2,5]oxadiazino[5,4-a]indol-4-one.
What is the SMILES notation for 1-(4-chlorophenyl)-8-methoxy-[1,2,5]oxadiazino[5,4-a]indol-4-one?
The canonical SMILES for 1-(4-chlorophenyl)-8-methoxy-[1,2,5]oxadiazino[5,4-a]indol-4-one is COc1ccc2c(c1)cc1c(-c3ccc(Cl)cc3)noc(=O)n12.
What is the InChIKey of 1-(4-chlorophenyl)-8-methoxy-[1,2,5]oxadiazino[5,4-a]indol-4-one?
The InChIKey is NMPIZZNVQHOTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O3/c1-22-13-6-7-14-11(8-13)9-15-16(19-23-17(21)20(14)15)10-2-4-12(18)5-3-10/h2-9H,1H3.
What are the key properties of 1-(4-chlorophenyl)-8-methoxy-[1,2,5]oxadiazino[5,4-a]indol-4-one?
1-(4-chlorophenyl)-8-methoxy-[1,2,5]oxadiazino[5,4-a]indol-4-one has a molecular weight of 326.74 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-8-methoxy-[1,2,5]oxadiazino[5,4-a]indol-4-one is sourced from PubChem (CID 11551597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).