1-(7-amino-1-phenyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-3-yl)propan-2-one

C16H17N3O2 — CID 59058796

IUPAC1-(7-amino-1-phenyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-3-yl)propan-2-one
SMILESCC(=O)CC1CN(c2ccccc2)c2cc(N)cnc2O1
InChIInChI=1S/C16H17N3O2/c1-11(20)7-14-10-19(13-5-3-2-4-6-13)15-8-12(17)9-18-16(15)21-14/h2-6,8-9,14H,7,10,17H2,1H3
InChIKeyGNZKJMDLZDEWJD-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.54
Rot. Bonds3

About 1-(7-amino-1-phenyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-3-yl)propan-2-one

1-(7-amino-1-phenyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-3-yl)propan-2-one (PubChem CID 59058796) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-(7-amino-1-phenyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(7-amino-1-phenyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-3-yl)propan-2-one
PubChem CID59058796
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name1-(7-amino-1-phenyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-3-yl)propan-2-one
SMILESCC(=O)CC1CN(c2ccccc2)c2cc(N)cnc2O1
InChIInChI=1S/C16H17N3O2/c1-11(20)7-14-10-19(13-5-3-2-4-6-13)15-8-12(17)9-18-16(15)21-14/h2-6,8-9,14H,7,10,17H2,1H3
InChIKeyGNZKJMDLZDEWJD-UHFFFAOYSA-N
XLogP2.54
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(7-amino-1-phenyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-3-yl)propan-2-one?
The IUPAC name of 1-(7-amino-1-phenyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-3-yl)propan-2-one (CID 59058796) is 1-(7-amino-1-phenyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-3-yl)propan-2-one.
What is the SMILES notation for 1-(7-amino-1-phenyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-3-yl)propan-2-one?
The canonical SMILES for 1-(7-amino-1-phenyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-3-yl)propan-2-one is CC(=O)CC1CN(c2ccccc2)c2cc(N)cnc2O1.
What is the InChIKey of 1-(7-amino-1-phenyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-3-yl)propan-2-one?
The InChIKey is GNZKJMDLZDEWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11(20)7-14-10-19(13-5-3-2-4-6-13)15-8-12(17)9-18-16(15)21-14/h2-6,8-9,14H,7,10,17H2,1H3.
What are the key properties of 1-(7-amino-1-phenyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-3-yl)propan-2-one?
1-(7-amino-1-phenyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-3-yl)propan-2-one has a molecular weight of 283.33 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-amino-1-phenyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-3-yl)propan-2-one is sourced from PubChem (CID 59058796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).