6-[(3R)-3-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C17H17N3O3 — CID 66996568

IUPAC6-[(3R)-3-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2ccc(N3CCOC[C@H]3c3ccccc3)nc2N1
InChIInChI=1S/C17H17N3O3/c21-16-11-23-14-6-7-15(18-17(14)19-16)20-8-9-22-10-13(20)12-4-2-1-3-5-12/h1-7,13H,8-11H2,(H,18,19,21)/t13-/m0/s1
InChIKeyAUSLDGVMWQDFIM-ZDUSSCGKSA-N
MW311.34 g/mol
LogP1.99
Rot. Bonds2

About 6-[(3R)-3-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[(3R)-3-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 66996568) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 6-[(3R)-3-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[(3R)-3-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID66996568
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name6-[(3R)-3-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2ccc(N3CCOC[C@H]3c3ccccc3)nc2N1
InChIInChI=1S/C17H17N3O3/c21-16-11-23-14-6-7-15(18-17(14)19-16)20-8-9-22-10-13(20)12-4-2-1-3-5-12/h1-7,13H,8-11H2,(H,18,19,21)/t13-/m0/s1
InChIKeyAUSLDGVMWQDFIM-ZDUSSCGKSA-N
XLogP1.99
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[(3R)-3-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 66996568) is 6-[(3R)-3-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[(3R)-3-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[(3R)-3-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is O=C1COc2ccc(N3CCOC[C@H]3c3ccccc3)nc2N1.
What is the InChIKey of 6-[(3R)-3-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is AUSLDGVMWQDFIM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17N3O3/c21-16-11-23-14-6-7-15(18-17(14)19-16)20-8-9-22-10-13(20)12-4-2-1-3-5-12/h1-7,13H,8-11H2,(H,18,19,21)/t13-/m0/s1.
What are the key properties of 6-[(3R)-3-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[(3R)-3-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 311.34 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 66996568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).