6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-1-methyl-7-phenylpyrido[2,3-b][1,4]oxazin-2-one

C25H25N3O3 — CID 67257000

IUPAC6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-1-methyl-7-phenylpyrido[2,3-b][1,4]oxazin-2-one
SMILESCN1C(=O)COc2nc(-c3ccc(C4(N)CC(C)(O)C4)cc3)c(-c3ccccc3)cc21
InChIInChI=1S/C25H25N3O3/c1-24(30)14-25(26,15-24)18-10-8-17(9-11-18)22-19(16-6-4-3-5-7-16)12-20-23(27-22)31-13-21(29)28(20)2/h3-12,30H,13-15,26H2,1-2H3
InChIKeyMFQGZDBUYHCEIH-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.47
Rot. Bonds3

About 6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-1-methyl-7-phenylpyrido[2,3-b][1,4]oxazin-2-one

6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-1-methyl-7-phenylpyrido[2,3-b][1,4]oxazin-2-one (PubChem CID 67257000) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-1-methyl-7-phenylpyrido[2,3-b][1,4]oxazin-2-one.

Molecular Properties

Compound Name6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-1-methyl-7-phenylpyrido[2,3-b][1,4]oxazin-2-one
PubChem CID67257000
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-1-methyl-7-phenylpyrido[2,3-b][1,4]oxazin-2-one
SMILESCN1C(=O)COc2nc(-c3ccc(C4(N)CC(C)(O)C4)cc3)c(-c3ccccc3)cc21
InChIInChI=1S/C25H25N3O3/c1-24(30)14-25(26,15-24)18-10-8-17(9-11-18)22-19(16-6-4-3-5-7-16)12-20-23(27-22)31-13-21(29)28(20)2/h3-12,30H,13-15,26H2,1-2H3
InChIKeyMFQGZDBUYHCEIH-UHFFFAOYSA-N
XLogP3.47
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-1-methyl-7-phenylpyrido[2,3-b][1,4]oxazin-2-one?
The IUPAC name of 6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-1-methyl-7-phenylpyrido[2,3-b][1,4]oxazin-2-one (CID 67257000) is 6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-1-methyl-7-phenylpyrido[2,3-b][1,4]oxazin-2-one.
What is the SMILES notation for 6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-1-methyl-7-phenylpyrido[2,3-b][1,4]oxazin-2-one?
The canonical SMILES for 6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-1-methyl-7-phenylpyrido[2,3-b][1,4]oxazin-2-one is CN1C(=O)COc2nc(-c3ccc(C4(N)CC(C)(O)C4)cc3)c(-c3ccccc3)cc21.
What is the InChIKey of 6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-1-methyl-7-phenylpyrido[2,3-b][1,4]oxazin-2-one?
The InChIKey is MFQGZDBUYHCEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-24(30)14-25(26,15-24)18-10-8-17(9-11-18)22-19(16-6-4-3-5-7-16)12-20-23(27-22)31-13-21(29)28(20)2/h3-12,30H,13-15,26H2,1-2H3.
What are the key properties of 6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-1-methyl-7-phenylpyrido[2,3-b][1,4]oxazin-2-one?
6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-1-methyl-7-phenylpyrido[2,3-b][1,4]oxazin-2-one has a molecular weight of 415.49 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-1-methyl-7-phenylpyrido[2,3-b][1,4]oxazin-2-one is sourced from PubChem (CID 67257000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).