propan-2-yl 2-(6-amino-3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)propanoate

C19H21N3O4 — CID 110831753

IUPACpropan-2-yl 2-(6-amino-3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)propanoate
SMILESCC(C)OC(=O)C(C)N1C(=O)C(c2ccccc2)Oc2ccc(N)nc21
InChIInChI=1S/C19H21N3O4/c1-11(2)25-19(24)12(3)22-17-14(9-10-15(20)21-17)26-16(18(22)23)13-7-5-4-6-8-13/h4-12,16H,1-3H3,(H2,20,21)
InChIKeyJLQOJMCUEHDRFS-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.47
Rot. Bonds4

About propan-2-yl 2-(6-amino-3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)propanoate

propan-2-yl 2-(6-amino-3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)propanoate (PubChem CID 110831753) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is propan-2-yl 2-(6-amino-3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)propanoate.

Molecular Properties

Compound Namepropan-2-yl 2-(6-amino-3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)propanoate
PubChem CID110831753
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Namepropan-2-yl 2-(6-amino-3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)propanoate
SMILESCC(C)OC(=O)C(C)N1C(=O)C(c2ccccc2)Oc2ccc(N)nc21
InChIInChI=1S/C19H21N3O4/c1-11(2)25-19(24)12(3)22-17-14(9-10-15(20)21-17)26-16(18(22)23)13-7-5-4-6-8-13/h4-12,16H,1-3H3,(H2,20,21)
InChIKeyJLQOJMCUEHDRFS-UHFFFAOYSA-N
XLogP2.47
TPSA94.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(6-amino-3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)propanoate?
The IUPAC name of propan-2-yl 2-(6-amino-3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)propanoate (CID 110831753) is propan-2-yl 2-(6-amino-3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)propanoate.
What is the SMILES notation for propan-2-yl 2-(6-amino-3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)propanoate?
The canonical SMILES for propan-2-yl 2-(6-amino-3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)propanoate is CC(C)OC(=O)C(C)N1C(=O)C(c2ccccc2)Oc2ccc(N)nc21.
What is the InChIKey of propan-2-yl 2-(6-amino-3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)propanoate?
The InChIKey is JLQOJMCUEHDRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-11(2)25-19(24)12(3)22-17-14(9-10-15(20)21-17)26-16(18(22)23)13-7-5-4-6-8-13/h4-12,16H,1-3H3,(H2,20,21).
What are the key properties of propan-2-yl 2-(6-amino-3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)propanoate?
propan-2-yl 2-(6-amino-3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)propanoate has a molecular weight of 355.39 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(6-amino-3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)propanoate is sourced from PubChem (CID 110831753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).