2'-bromo-4'-fluoro-7'-methoxyspiro[morpholine-5,9'-xanthene]-3-one

C17H13BrFNO4 — CID 77292419

IUPAC2'-bromo-4'-fluoro-7'-methoxyspiro[morpholine-5,9'-xanthene]-3-one
SMILESCOc1ccc2c(c1)C1(COCC(=O)N1)c1cc(Br)cc(F)c1O2
InChIInChI=1S/C17H13BrFNO4/c1-22-10-2-3-14-11(6-10)17(8-23-7-15(21)20-17)12-4-9(18)5-13(19)16(12)24-14/h2-6H,7-8H2,1H3,(H,20,21)
InChIKeyJTCXHLIBZSWGIP-UHFFFAOYSA-N
MW394.20 g/mol
LogP3.09
Rot. Bonds1

About 2'-bromo-4'-fluoro-7'-methoxyspiro[morpholine-5,9'-xanthene]-3-one

2'-bromo-4'-fluoro-7'-methoxyspiro[morpholine-5,9'-xanthene]-3-one (PubChem CID 77292419) has the molecular formula C17H13BrFNO4 and a molecular weight of 394.20 g/mol. Its IUPAC name is 2'-bromo-4'-fluoro-7'-methoxyspiro[morpholine-5,9'-xanthene]-3-one.

Molecular Properties

Compound Name2'-bromo-4'-fluoro-7'-methoxyspiro[morpholine-5,9'-xanthene]-3-one
PubChem CID77292419
Molecular FormulaC17H13BrFNO4
Molecular Weight394.20 g/mol
Exact Mass393.00
IUPAC Name2'-bromo-4'-fluoro-7'-methoxyspiro[morpholine-5,9'-xanthene]-3-one
SMILESCOc1ccc2c(c1)C1(COCC(=O)N1)c1cc(Br)cc(F)c1O2
InChIInChI=1S/C17H13BrFNO4/c1-22-10-2-3-14-11(6-10)17(8-23-7-15(21)20-17)12-4-9(18)5-13(19)16(12)24-14/h2-6H,7-8H2,1H3,(H,20,21)
InChIKeyJTCXHLIBZSWGIP-UHFFFAOYSA-N
XLogP3.09
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.20
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2'-bromo-4'-fluoro-7'-methoxyspiro[morpholine-5,9'-xanthene]-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-2'-bromo-7'-methoxyspiro[2,6-dihydro-1,4-oxazine-5,9'-xanthene]-3-amine;(5R)-2'-bromo-7'-methoxyspiro[morpholine-5,9'-xanthene]-3-one;2'-bromo-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 158855477
(5S)-7'-bromo-4'-fluoro-2'-methoxyspiro[2,6-dihydro-1,4-oxazine-5,9'-xanthene]-3-amine;(5S)-4'-fluoro-7'-(2-fluoro-3-pyridinyl)-2'-methoxyspiro[2,6-dihydro-1,4-oxazine-5,9'-xanthene]-3-amine
CID 162041932
(6S)-7'-bromo-4'-fluoro-2'-methoxyspiro[4,5-dihydro-1,3-thiazine-6,9'-xanthene]-2-amine
CID 89461803
5-amino-7'-bromo-5'-fluorospiro[2,6-dihydro-1,4-oxazine-3,9'-xanthene]-2'-ol
CID 67437659
(3S)-2'-bromo-7'-methoxyspiro[1,2-dihydropyrrole-3,9'-xanthene]-5-amine
CID 141263164
tert-butyl N-(2'-bromo-4'-fluoro-7'-hydroxyspiro[2,6-dihydro-1,4-oxazine-5,9'-xanthene]-3-yl)carbamate
CID 67438585
6-methoxyspiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one
CID 70585209
4-(2,5-dimethoxyphenyl)-4-methyloxane-2,6-dione
CID 82133552
6-methoxy-4H-1,4-benzoxazin-3-one
CID 13204952
7'-bromo-4'-fluoro-2'-methoxy-5-(methoxymethyl)spiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine
CID 67382936
7'-(4,4-difluoropiperidin-1-yl)-4'-fluoro-2'-methoxyspiro[2,6-dihydro-1,4-oxazine-5,9'-xanthene]-3-amine
CID 67387713
5,5'-dimethoxy-3,3'-spirobi[2H-1-benzofuran]
CID 14070048

Frequently Asked Questions

What is the IUPAC name of 2'-bromo-4'-fluoro-7'-methoxyspiro[morpholine-5,9'-xanthene]-3-one?
The IUPAC name of 2'-bromo-4'-fluoro-7'-methoxyspiro[morpholine-5,9'-xanthene]-3-one (CID 77292419) is 2'-bromo-4'-fluoro-7'-methoxyspiro[morpholine-5,9'-xanthene]-3-one.
What is the SMILES notation for 2'-bromo-4'-fluoro-7'-methoxyspiro[morpholine-5,9'-xanthene]-3-one?
The canonical SMILES for 2'-bromo-4'-fluoro-7'-methoxyspiro[morpholine-5,9'-xanthene]-3-one is COc1ccc2c(c1)C1(COCC(=O)N1)c1cc(Br)cc(F)c1O2.
What is the InChIKey of 2'-bromo-4'-fluoro-7'-methoxyspiro[morpholine-5,9'-xanthene]-3-one?
The InChIKey is JTCXHLIBZSWGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFNO4/c1-22-10-2-3-14-11(6-10)17(8-23-7-15(21)20-17)12-4-9(18)5-13(19)16(12)24-14/h2-6H,7-8H2,1H3,(H,20,21).
What are the key properties of 2'-bromo-4'-fluoro-7'-methoxyspiro[morpholine-5,9'-xanthene]-3-one?
2'-bromo-4'-fluoro-7'-methoxyspiro[morpholine-5,9'-xanthene]-3-one has a molecular weight of 394.20 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-bromo-4'-fluoro-7'-methoxyspiro[morpholine-5,9'-xanthene]-3-one is sourced from PubChem (CID 77292419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).