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

C25H24FN3O2 — CID 53262456

IUPAC6-[4-(1-aminocyclobutyl)phenyl]-1-(2-fluoroethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one
SMILESNC1(c2ccc(-c3nc4c(cc3-c3ccccc3)N(CCF)C(=O)CO4)cc2)CCC1
InChIInChI=1S/C25H24FN3O2/c26-13-14-29-21-15-20(17-5-2-1-3-6-17)23(28-24(21)31-16-22(29)30)18-7-9-19(10-8-18)25(27)11-4-12-25/h1-3,5-10,15H,4,11-14,16,27H2
InChIKeyPCBLBPATLXZIRA-UHFFFAOYSA-N
MW417.48 g/mol
LogP4.45
Rot. Bonds5

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

6-[4-(1-aminocyclobutyl)phenyl]-1-(2-fluoroethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one (PubChem CID 53262456) has the molecular formula C25H24FN3O2 and a molecular weight of 417.48 g/mol. Its IUPAC name is 6-[4-(1-aminocyclobutyl)phenyl]-1-(2-fluoroethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one.

Molecular Properties

Compound Name6-[4-(1-aminocyclobutyl)phenyl]-1-(2-fluoroethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one
PubChem CID53262456
Molecular FormulaC25H24FN3O2
Molecular Weight417.48 g/mol
Exact Mass417.19
IUPAC Name6-[4-(1-aminocyclobutyl)phenyl]-1-(2-fluoroethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one
SMILESNC1(c2ccc(-c3nc4c(cc3-c3ccccc3)N(CCF)C(=O)CO4)cc2)CCC1
InChIInChI=1S/C25H24FN3O2/c26-13-14-29-21-15-20(17-5-2-1-3-6-17)23(28-24(21)31-16-22(29)30)18-7-9-19(10-8-18)25(27)11-4-12-25/h1-3,5-10,15H,4,11-14,16,27H2
InChIKeyPCBLBPATLXZIRA-UHFFFAOYSA-N
XLogP4.45
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.48
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-aminocyclobutyl)phenyl]-1-(2-fluoroethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one?
The IUPAC name of 6-[4-(1-aminocyclobutyl)phenyl]-1-(2-fluoroethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one (CID 53262456) is 6-[4-(1-aminocyclobutyl)phenyl]-1-(2-fluoroethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one.
What is the SMILES notation for 6-[4-(1-aminocyclobutyl)phenyl]-1-(2-fluoroethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one?
The canonical SMILES for 6-[4-(1-aminocyclobutyl)phenyl]-1-(2-fluoroethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one is NC1(c2ccc(-c3nc4c(cc3-c3ccccc3)N(CCF)C(=O)CO4)cc2)CCC1.
What is the InChIKey of 6-[4-(1-aminocyclobutyl)phenyl]-1-(2-fluoroethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one?
The InChIKey is PCBLBPATLXZIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O2/c26-13-14-29-21-15-20(17-5-2-1-3-6-17)23(28-24(21)31-16-22(29)30)18-7-9-19(10-8-18)25(27)11-4-12-25/h1-3,5-10,15H,4,11-14,16,27H2.
What are the key properties of 6-[4-(1-aminocyclobutyl)phenyl]-1-(2-fluoroethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one?
6-[4-(1-aminocyclobutyl)phenyl]-1-(2-fluoroethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one has a molecular weight of 417.48 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-aminocyclobutyl)phenyl]-1-(2-fluoroethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one is sourced from PubChem (CID 53262456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).