7'-bromo-3'-(2,2-dimethylpropoxy)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine

C20H22BrN3O3 — CID 67440041

IUPAC7'-bromo-3'-(2,2-dimethylpropoxy)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine
SMILESCC(C)(C)COc1cc2c(cn1)Oc1ccc(Br)cc1C21COCC(N)=N1
InChIInChI=1S/C20H22BrN3O3/c1-19(2,3)10-26-18-7-14-16(8-23-18)27-15-5-4-12(21)6-13(15)20(14)11-25-9-17(22)24-20/h4-8H,9-11H2,1-3H3,(H2,22,24)
InChIKeyXYPXFPKRCNUQTI-UHFFFAOYSA-N
MW432.32 g/mol
LogP4.01
Rot. Bonds2

About 7'-bromo-3'-(2,2-dimethylpropoxy)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine

7'-bromo-3'-(2,2-dimethylpropoxy)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine (PubChem CID 67440041) has the molecular formula C20H22BrN3O3 and a molecular weight of 432.32 g/mol. Its IUPAC name is 7'-bromo-3'-(2,2-dimethylpropoxy)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine.

Molecular Properties

Compound Name7'-bromo-3'-(2,2-dimethylpropoxy)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine
PubChem CID67440041
Molecular FormulaC20H22BrN3O3
Molecular Weight432.32 g/mol
Exact Mass431.08
IUPAC Name7'-bromo-3'-(2,2-dimethylpropoxy)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine
SMILESCC(C)(C)COc1cc2c(cn1)Oc1ccc(Br)cc1C21COCC(N)=N1
InChIInChI=1S/C20H22BrN3O3/c1-19(2,3)10-26-18-7-14-16(8-23-18)27-15-5-4-12(21)6-13(15)20(14)11-25-9-17(22)24-20/h4-8H,9-11H2,1-3H3,(H2,22,24)
InChIKeyXYPXFPKRCNUQTI-UHFFFAOYSA-N
XLogP4.01
TPSA78.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.32
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7'-bromo-3'-(difluoromethoxy)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine
CID 67438255
(5S)-7'-bromo-3'-chlorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine
CID 58465879
3-[5-amino-7'-(3-fluorophenyl)spiro[2,6-dihydro-1,4-oxazine-3,5'-chromeno[2,3-c]pyridine]-3'-yl]oxy-2,2-dimethylpropanenitrile
CID 53390577
7'-bromo-3'-chlorospiro[6,7-dihydro-2H-1,4-oxazepine-5,5'-chromeno[2,3-c]pyridine]-3-amine
CID 86709320
(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
5-amino-7'-bromo-5'-fluorospiro[2,6-dihydro-1,4-oxazine-3,9'-xanthene]-2'-ol
CID 67437659
(4S)-2'-(2,2-dimethylpropoxy)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 58466214
(4R)-2'-bromo-7'-(2,2-dimethylpropoxy)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine;(4S)-2'-(2,2-dimethylpropoxy)-7'-(5-methyl-1H-pyrazol-4-yl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CID 158766582
7'-(2,2-dimethylpropoxy)-3'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 58466307
(4R)-2'-(2,2-dimethylpropoxy)-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 67248077
7'-bromo-3'-chlorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine;6-chloropyridin-3-ol
CID 160671418

Frequently Asked Questions

What is the IUPAC name of 7'-bromo-3'-(2,2-dimethylpropoxy)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine?
The IUPAC name of 7'-bromo-3'-(2,2-dimethylpropoxy)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine (CID 67440041) is 7'-bromo-3'-(2,2-dimethylpropoxy)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine.
What is the SMILES notation for 7'-bromo-3'-(2,2-dimethylpropoxy)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine?
The canonical SMILES for 7'-bromo-3'-(2,2-dimethylpropoxy)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine is CC(C)(C)COc1cc2c(cn1)Oc1ccc(Br)cc1C21COCC(N)=N1.
What is the InChIKey of 7'-bromo-3'-(2,2-dimethylpropoxy)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine?
The InChIKey is XYPXFPKRCNUQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN3O3/c1-19(2,3)10-26-18-7-14-16(8-23-18)27-15-5-4-12(21)6-13(15)20(14)11-25-9-17(22)24-20/h4-8H,9-11H2,1-3H3,(H2,22,24).
What are the key properties of 7'-bromo-3'-(2,2-dimethylpropoxy)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine?
7'-bromo-3'-(2,2-dimethylpropoxy)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine has a molecular weight of 432.32 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-bromo-3'-(2,2-dimethylpropoxy)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine is sourced from PubChem (CID 67440041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).