6,9-dichloro-12a-ethoxy-7H-benzo[c]phenoxazin-5-one

C18H13Cl2NO3 — CID 12622294

IUPAC6,9-dichloro-12a-ethoxy-7H-benzo[c]phenoxazin-5-one
SMILESCCOC12Oc3ccc(Cl)cc3NC1=C(Cl)C(=O)c1ccccc12
InChIInChI=1S/C18H13Cl2NO3/c1-2-23-18-12-6-4-3-5-11(12)16(22)15(20)17(18)21-13-9-10(19)7-8-14(13)24-18/h3-9,21H,2H2,1H3
InChIKeyOGTJJNXSMBFDFF-UHFFFAOYSA-N
MW362.21 g/mol
LogP4.68
Rot. Bonds2

About 6,9-dichloro-12a-ethoxy-7H-benzo[c]phenoxazin-5-one

6,9-dichloro-12a-ethoxy-7H-benzo[c]phenoxazin-5-one (PubChem CID 12622294) has the molecular formula C18H13Cl2NO3 and a molecular weight of 362.21 g/mol. Its IUPAC name is 6,9-dichloro-12a-ethoxy-7H-benzo[c]phenoxazin-5-one.

Molecular Properties

Compound Name6,9-dichloro-12a-ethoxy-7H-benzo[c]phenoxazin-5-one
PubChem CID12622294
Molecular FormulaC18H13Cl2NO3
Molecular Weight362.21 g/mol
Exact Mass361.03
IUPAC Name6,9-dichloro-12a-ethoxy-7H-benzo[c]phenoxazin-5-one
SMILESCCOC12Oc3ccc(Cl)cc3NC1=C(Cl)C(=O)c1ccccc12
InChIInChI=1S/C18H13Cl2NO3/c1-2-23-18-12-6-4-3-5-11(12)16(22)15(20)17(18)21-13-9-10(19)7-8-14(13)24-18/h3-9,21H,2H2,1H3
InChIKeyOGTJJNXSMBFDFF-UHFFFAOYSA-N
XLogP4.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.21
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-(2-methylprop-2-enyl)-2-phenyl-4H-1,4-benzoxazin-3-one
CID 177408827
ethyl 2-(3-chloro-9-hydroperoxy-10-oxoanthracen-9-yl)oxyacetate
CID 156632204
7-chloro-2,2-dimethyl-3,5-dihydro-1,5-benzoxazepin-4-one
CID 104523490
6-chlorospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-3-one
CID 115097029
3-(3-chlorophenoxy)-3-phenyl-2-benzofuran-1-one
CID 102060867
(3R)-3-(4-chlorophenyl)-3-phenoxy-2-benzofuran-1-one
CID 7407836
3-chloro-6-methylidene-5H-benzo[b][1,4]benzoxazepine
CID 4184197
6-chloro-3-ethyl-2-methoxy-2-phenylchromene
CID 177419130
6-chloro-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 56730123
6-chloro-N-(2,6-dimethylphenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 75796573
2-azido-2-benzyl-6-chloro-4H-1,4-benzoxazin-3-one
CID 170607126
6-chloro-3-[(2-ethoxyphenyl)methylidene]-1H-indol-2-one
CID 4058783

Frequently Asked Questions

What is the IUPAC name of 6,9-dichloro-12a-ethoxy-7H-benzo[c]phenoxazin-5-one?
The IUPAC name of 6,9-dichloro-12a-ethoxy-7H-benzo[c]phenoxazin-5-one (CID 12622294) is 6,9-dichloro-12a-ethoxy-7H-benzo[c]phenoxazin-5-one.
What is the SMILES notation for 6,9-dichloro-12a-ethoxy-7H-benzo[c]phenoxazin-5-one?
The canonical SMILES for 6,9-dichloro-12a-ethoxy-7H-benzo[c]phenoxazin-5-one is CCOC12Oc3ccc(Cl)cc3NC1=C(Cl)C(=O)c1ccccc12.
What is the InChIKey of 6,9-dichloro-12a-ethoxy-7H-benzo[c]phenoxazin-5-one?
The InChIKey is OGTJJNXSMBFDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2NO3/c1-2-23-18-12-6-4-3-5-11(12)16(22)15(20)17(18)21-13-9-10(19)7-8-14(13)24-18/h3-9,21H,2H2,1H3.
What are the key properties of 6,9-dichloro-12a-ethoxy-7H-benzo[c]phenoxazin-5-one?
6,9-dichloro-12a-ethoxy-7H-benzo[c]phenoxazin-5-one has a molecular weight of 362.21 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-dichloro-12a-ethoxy-7H-benzo[c]phenoxazin-5-one is sourced from PubChem (CID 12622294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).