7-benzyl-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;7-bromo-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide

C35H31BrN6O4 — CID 158115203

IUPAC7-benzyl-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;7-bromo-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
SMILESO=C(Nc1ccccc1)N1CCOc2cc(Br)cnc21.O=C(Nc1ccccc1)N1CCOc2cc(Cc3ccccc3)cnc21
InChIInChI=1S/C21H19N3O2.C14H12BrN3O2/c25-21(23-18-9-5-2-6-10-18)24-11-12-26-19-14-17(15-22-20(19)24)13-16-7-3-1-4-8-16;15-10-8-12-13(16-9-10)18(6-7-20-12)14(19)17-11-4-2-1-3-5-11/h1-10,14-15H,11-13H2,(H,23,25);1-5,8-9H,6-7H2,(H,17,19)
InChIKeyFQXKXYVXAPXNGB-UHFFFAOYSA-N
MW679.58 g/mol
LogP7.38
Rot. Bonds4

About 7-benzyl-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;7-bromo-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide

7-benzyl-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;7-bromo-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide (PubChem CID 158115203) has the molecular formula C35H31BrN6O4 and a molecular weight of 679.58 g/mol. Its IUPAC name is 7-benzyl-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;7-bromo-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide.

Molecular Properties

Compound Name7-benzyl-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;7-bromo-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
PubChem CID158115203
Molecular FormulaC35H31BrN6O4
Molecular Weight679.58 g/mol
Exact Mass678.16
IUPAC Name7-benzyl-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;7-bromo-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
SMILESO=C(Nc1ccccc1)N1CCOc2cc(Br)cnc21.O=C(Nc1ccccc1)N1CCOc2cc(Cc3ccccc3)cnc21
InChIInChI=1S/C21H19N3O2.C14H12BrN3O2/c25-21(23-18-9-5-2-6-10-18)24-11-12-26-19-14-17(15-22-20(19)24)13-16-7-3-1-4-8-16;15-10-8-12-13(16-9-10)18(6-7-20-12)14(19)17-11-4-2-1-3-5-11/h1-10,14-15H,11-13H2,(H,23,25);1-5,8-9H,6-7H2,(H,17,19)
InChIKeyFQXKXYVXAPXNGB-UHFFFAOYSA-N
XLogP7.38
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.58
LogP ≤ 57.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;7-bromo-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The IUPAC name of 7-benzyl-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;7-bromo-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide (CID 158115203) is 7-benzyl-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;7-bromo-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide.
What is the SMILES notation for 7-benzyl-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;7-bromo-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The canonical SMILES for 7-benzyl-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;7-bromo-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide is O=C(Nc1ccccc1)N1CCOc2cc(Br)cnc21.O=C(Nc1ccccc1)N1CCOc2cc(Cc3ccccc3)cnc21.
What is the InChIKey of 7-benzyl-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;7-bromo-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The InChIKey is FQXKXYVXAPXNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2.C14H12BrN3O2/c25-21(23-18-9-5-2-6-10-18)24-11-12-26-19-14-17(15-22-20(19)24)13-16-7-3-1-4-8-16;15-10-8-12-13(16-9-10)18(6-7-20-12)14(19)17-11-4-2-1-3-5-11/h1-10,14-15H,11-13H2,(H,23,25);1-5,8-9H,6-7H2,(H,17,19).
What are the key properties of 7-benzyl-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;7-bromo-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
7-benzyl-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;7-bromo-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide has a molecular weight of 679.58 g/mol, XLogP of 7.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;7-bromo-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide is sourced from PubChem (CID 158115203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).