6-amino-4-(2,3-dihydroxypropyl)-2-phenylpyrido[3,2-b][1,4]oxazin-3-one

C16H17N3O4 — CID 110831771

IUPAC6-amino-4-(2,3-dihydroxypropyl)-2-phenylpyrido[3,2-b][1,4]oxazin-3-one
SMILESNc1ccc2c(n1)N(CC(O)CO)C(=O)C(c1ccccc1)O2
InChIInChI=1S/C16H17N3O4/c17-13-7-6-12-15(18-13)19(8-11(21)9-20)16(22)14(23-12)10-4-2-1-3-5-10/h1-7,11,14,20-21H,8-9H2,(H2,17,18)
InChIKeyGLTGDNMZWDHICR-UHFFFAOYSA-N
MW315.33 g/mol
LogP0.48
Rot. Bonds4

About 6-amino-4-(2,3-dihydroxypropyl)-2-phenylpyrido[3,2-b][1,4]oxazin-3-one

6-amino-4-(2,3-dihydroxypropyl)-2-phenylpyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 110831771) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is 6-amino-4-(2,3-dihydroxypropyl)-2-phenylpyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-amino-4-(2,3-dihydroxypropyl)-2-phenylpyrido[3,2-b][1,4]oxazin-3-one
PubChem CID110831771
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name6-amino-4-(2,3-dihydroxypropyl)-2-phenylpyrido[3,2-b][1,4]oxazin-3-one
SMILESNc1ccc2c(n1)N(CC(O)CO)C(=O)C(c1ccccc1)O2
InChIInChI=1S/C16H17N3O4/c17-13-7-6-12-15(18-13)19(8-11(21)9-20)16(22)14(23-12)10-4-2-1-3-5-10/h1-7,11,14,20-21H,8-9H2,(H2,17,18)
InChIKeyGLTGDNMZWDHICR-UHFFFAOYSA-N
XLogP0.48
TPSA108.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(2,3-dihydroxypropyl)-2-phenylpyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-amino-4-(2,3-dihydroxypropyl)-2-phenylpyrido[3,2-b][1,4]oxazin-3-one (CID 110831771) is 6-amino-4-(2,3-dihydroxypropyl)-2-phenylpyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-amino-4-(2,3-dihydroxypropyl)-2-phenylpyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-amino-4-(2,3-dihydroxypropyl)-2-phenylpyrido[3,2-b][1,4]oxazin-3-one is Nc1ccc2c(n1)N(CC(O)CO)C(=O)C(c1ccccc1)O2.
What is the InChIKey of 6-amino-4-(2,3-dihydroxypropyl)-2-phenylpyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is GLTGDNMZWDHICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c17-13-7-6-12-15(18-13)19(8-11(21)9-20)16(22)14(23-12)10-4-2-1-3-5-10/h1-7,11,14,20-21H,8-9H2,(H2,17,18).
What are the key properties of 6-amino-4-(2,3-dihydroxypropyl)-2-phenylpyrido[3,2-b][1,4]oxazin-3-one?
6-amino-4-(2,3-dihydroxypropyl)-2-phenylpyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 315.33 g/mol, XLogP of 0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(2,3-dihydroxypropyl)-2-phenylpyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 110831771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).