6-[4-(1-aminocyclobutyl)phenyl]-1-(2-oxopropyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one

C26H25N3O3 — CID 53261991

IUPAC6-[4-(1-aminocyclobutyl)phenyl]-1-(2-oxopropyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one
SMILESCC(=O)CN1C(=O)COc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)cc21
InChIInChI=1S/C26H25N3O3/c1-17(30)15-29-22-14-21(18-6-3-2-4-7-18)24(28-25(22)32-16-23(29)31)19-8-10-20(11-9-19)26(27)12-5-13-26/h2-4,6-11,14H,5,12-13,15-16,27H2,1H3
InChIKeyVTTLZTZEQXCDRZ-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.07
Rot. Bonds5

About 6-[4-(1-aminocyclobutyl)phenyl]-1-(2-oxopropyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one

6-[4-(1-aminocyclobutyl)phenyl]-1-(2-oxopropyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one (PubChem CID 53261991) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is 6-[4-(1-aminocyclobutyl)phenyl]-1-(2-oxopropyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one.

Molecular Properties

Compound Name6-[4-(1-aminocyclobutyl)phenyl]-1-(2-oxopropyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one
PubChem CID53261991
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name6-[4-(1-aminocyclobutyl)phenyl]-1-(2-oxopropyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one
SMILESCC(=O)CN1C(=O)COc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)cc21
InChIInChI=1S/C26H25N3O3/c1-17(30)15-29-22-14-21(18-6-3-2-4-7-18)24(28-25(22)32-16-23(29)31)19-8-10-20(11-9-19)26(27)12-5-13-26/h2-4,6-11,14H,5,12-13,15-16,27H2,1H3
InChIKeyVTTLZTZEQXCDRZ-UHFFFAOYSA-N
XLogP4.07
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-aminocyclobutyl)phenyl]-1-(2-oxopropyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one?
The IUPAC name of 6-[4-(1-aminocyclobutyl)phenyl]-1-(2-oxopropyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one (CID 53261991) is 6-[4-(1-aminocyclobutyl)phenyl]-1-(2-oxopropyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one.
What is the SMILES notation for 6-[4-(1-aminocyclobutyl)phenyl]-1-(2-oxopropyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one?
The canonical SMILES for 6-[4-(1-aminocyclobutyl)phenyl]-1-(2-oxopropyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one is CC(=O)CN1C(=O)COc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)cc21.
What is the InChIKey of 6-[4-(1-aminocyclobutyl)phenyl]-1-(2-oxopropyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one?
The InChIKey is VTTLZTZEQXCDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-17(30)15-29-22-14-21(18-6-3-2-4-7-18)24(28-25(22)32-16-23(29)31)19-8-10-20(11-9-19)26(27)12-5-13-26/h2-4,6-11,14H,5,12-13,15-16,27H2,1H3.
What are the key properties of 6-[4-(1-aminocyclobutyl)phenyl]-1-(2-oxopropyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one?
6-[4-(1-aminocyclobutyl)phenyl]-1-(2-oxopropyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one has a molecular weight of 427.50 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-aminocyclobutyl)phenyl]-1-(2-oxopropyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one is sourced from PubChem (CID 53261991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).