7'-bromo-3'-chloro-1'-methoxyspiro[4,5-dihydro-1,3-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine

C16H13BrClN3O3 — CID 87379598

IUPAC7'-bromo-3'-chloro-1'-methoxyspiro[4,5-dihydro-1,3-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine
SMILESCOc1nc(Cl)cc2c1Oc1ccc(Br)cc1C21CCN=C(N)O1
InChIInChI=1S/C16H13BrClN3O3/c1-22-14-13-10(7-12(18)21-14)16(4-5-20-15(19)24-16)9-6-8(17)2-3-11(9)23-13/h2-3,6-7H,4-5H2,1H3,(H2,19,20)
InChIKeyBAGSWVCBFPSWBO-UHFFFAOYSA-N
MW410.66 g/mol
LogP3.59
Rot. Bonds1

About 7'-bromo-3'-chloro-1'-methoxyspiro[4,5-dihydro-1,3-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine

7'-bromo-3'-chloro-1'-methoxyspiro[4,5-dihydro-1,3-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine (PubChem CID 87379598) has the molecular formula C16H13BrClN3O3 and a molecular weight of 410.66 g/mol. Its IUPAC name is 7'-bromo-3'-chloro-1'-methoxyspiro[4,5-dihydro-1,3-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine.

Molecular Properties

Compound Name7'-bromo-3'-chloro-1'-methoxyspiro[4,5-dihydro-1,3-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine
PubChem CID87379598
Molecular FormulaC16H13BrClN3O3
Molecular Weight410.66 g/mol
Exact Mass408.98
IUPAC Name7'-bromo-3'-chloro-1'-methoxyspiro[4,5-dihydro-1,3-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine
SMILESCOc1nc(Cl)cc2c1Oc1ccc(Br)cc1C21CCN=C(N)O1
InChIInChI=1S/C16H13BrClN3O3/c1-22-14-13-10(7-12(18)21-14)16(4-5-20-15(19)24-16)9-6-8(17)2-3-11(9)23-13/h2-3,6-7H,4-5H2,1H3,(H2,19,20)
InChIKeyBAGSWVCBFPSWBO-UHFFFAOYSA-N
XLogP3.59
TPSA78.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.66
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(6S)-2-amino-3'-(3,6-dihydro-2H-pyran-4-yl)-1'-methoxyspiro[4,5-dihydro-1,3-oxazine-6,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide
CID 89461817
(6S)-7'-bromo-3'-chloro-1'-fluorospiro[4,5-dihydro-1,3-thiazine-6,5'-chromeno[2,3-c]pyridine]-2-amine
CID 90156588
(6S)-7'-bromo-4'-fluoro-2'-methoxyspiro[4,5-dihydro-1,3-thiazine-6,9'-xanthene]-2-amine
CID 89461803
N-[(6S)-2-amino-5'-fluoro-7'-methoxyspiro[4,5-dihydro-1,3-oxazine-6,9'-xanthene]-2'-yl]-5-cyanopyridine-2-carboxamide
CID 71541947
7-bromo-3-chloro-1-fluorochromeno[2,3-c]pyridin-5-one;(4R)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4S)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;bis(7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine)
CID 159403295
(4S)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4S)-3'-chloro-1'-fluoro-7'-[(3-methoxy-1,7-naphthyridin-8-yl)methyl]spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;8-chloro-3-methoxy-1,7-naphthyridine
CID 160927778
methyl 2-[7-bromo-3-chloro-1-fluoro-5-[methyl-[N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]chromeno[2,3-c]pyridin-5-yl]acetate
CID 123807937
(6S)-4'-fluoro-2'-(2-fluoro-2-methylpropoxy)-7'-(2-fluoro-3-pyridinyl)spiro[4,5-dihydro-1,3-oxazine-6,9'-xanthene]-2-amine
CID 67382830
7'-bromo-3'-chlorospiro[6,7-dihydro-2H-1,4-oxazepine-5,5'-chromeno[2,3-c]pyridine]-3-amine
CID 86709320
(3S)-7'-bromo-3'-chlorospiro[1,2-dihydropyrrole-3,5'-chromeno[2,3-c]pyridine]-5-amine
CID 141263181
9-bromo-3-methoxyspiro[6H-[1]benzoxepino[3,2-b]pyridine-5,1'-cyclopropane]
CID 138675499
(5S)-7'-bromo-3'-chlorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine
CID 58465879

Frequently Asked Questions

What is the IUPAC name of 7'-bromo-3'-chloro-1'-methoxyspiro[4,5-dihydro-1,3-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine?
The IUPAC name of 7'-bromo-3'-chloro-1'-methoxyspiro[4,5-dihydro-1,3-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine (CID 87379598) is 7'-bromo-3'-chloro-1'-methoxyspiro[4,5-dihydro-1,3-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine.
What is the SMILES notation for 7'-bromo-3'-chloro-1'-methoxyspiro[4,5-dihydro-1,3-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine?
The canonical SMILES for 7'-bromo-3'-chloro-1'-methoxyspiro[4,5-dihydro-1,3-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine is COc1nc(Cl)cc2c1Oc1ccc(Br)cc1C21CCN=C(N)O1.
What is the InChIKey of 7'-bromo-3'-chloro-1'-methoxyspiro[4,5-dihydro-1,3-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine?
The InChIKey is BAGSWVCBFPSWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClN3O3/c1-22-14-13-10(7-12(18)21-14)16(4-5-20-15(19)24-16)9-6-8(17)2-3-11(9)23-13/h2-3,6-7H,4-5H2,1H3,(H2,19,20).
What are the key properties of 7'-bromo-3'-chloro-1'-methoxyspiro[4,5-dihydro-1,3-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine?
7'-bromo-3'-chloro-1'-methoxyspiro[4,5-dihydro-1,3-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine has a molecular weight of 410.66 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-bromo-3'-chloro-1'-methoxyspiro[4,5-dihydro-1,3-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine is sourced from PubChem (CID 87379598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).