8-[(1R)-1-aminoethyl]-2-(1-fluorocyclobutyl)-3,6-dimethylquinazolin-4-one

C16H20FN3O — CID 169154875

IUPAC8-[(1R)-1-aminoethyl]-2-(1-fluorocyclobutyl)-3,6-dimethylquinazolin-4-one
SMILESCc1cc([C@@H](C)N)c2nc(C3(F)CCC3)n(C)c(=O)c2c1
InChIInChI=1S/C16H20FN3O/c1-9-7-11(10(2)18)13-12(8-9)14(21)20(3)15(19-13)16(17)5-4-6-16/h7-8,10H,4-6,18H2,1-3H3/t10-/m1/s1
InChIKeyBPKOMFUSQYOBHN-SNVBAGLBSA-N
MW289.35 g/mol
LogP2.61
Rot. Bonds2

About 8-[(1R)-1-aminoethyl]-2-(1-fluorocyclobutyl)-3,6-dimethylquinazolin-4-one

8-[(1R)-1-aminoethyl]-2-(1-fluorocyclobutyl)-3,6-dimethylquinazolin-4-one (PubChem CID 169154875) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 8-[(1R)-1-aminoethyl]-2-(1-fluorocyclobutyl)-3,6-dimethylquinazolin-4-one.

Molecular Properties

Compound Name8-[(1R)-1-aminoethyl]-2-(1-fluorocyclobutyl)-3,6-dimethylquinazolin-4-one
PubChem CID169154875
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name8-[(1R)-1-aminoethyl]-2-(1-fluorocyclobutyl)-3,6-dimethylquinazolin-4-one
SMILESCc1cc([C@@H](C)N)c2nc(C3(F)CCC3)n(C)c(=O)c2c1
InChIInChI=1S/C16H20FN3O/c1-9-7-11(10(2)18)13-12(8-9)14(21)20(3)15(19-13)16(17)5-4-6-16/h7-8,10H,4-6,18H2,1-3H3/t10-/m1/s1
InChIKeyBPKOMFUSQYOBHN-SNVBAGLBSA-N
XLogP2.61
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(1R)-1-aminoethyl]-2-(1-fluorocyclobutyl)-3,6-dimethylquinazolin-4-one?
The IUPAC name of 8-[(1R)-1-aminoethyl]-2-(1-fluorocyclobutyl)-3,6-dimethylquinazolin-4-one (CID 169154875) is 8-[(1R)-1-aminoethyl]-2-(1-fluorocyclobutyl)-3,6-dimethylquinazolin-4-one.
What is the SMILES notation for 8-[(1R)-1-aminoethyl]-2-(1-fluorocyclobutyl)-3,6-dimethylquinazolin-4-one?
The canonical SMILES for 8-[(1R)-1-aminoethyl]-2-(1-fluorocyclobutyl)-3,6-dimethylquinazolin-4-one is Cc1cc([C@@H](C)N)c2nc(C3(F)CCC3)n(C)c(=O)c2c1.
What is the InChIKey of 8-[(1R)-1-aminoethyl]-2-(1-fluorocyclobutyl)-3,6-dimethylquinazolin-4-one?
The InChIKey is BPKOMFUSQYOBHN-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-9-7-11(10(2)18)13-12(8-9)14(21)20(3)15(19-13)16(17)5-4-6-16/h7-8,10H,4-6,18H2,1-3H3/t10-/m1/s1.
What are the key properties of 8-[(1R)-1-aminoethyl]-2-(1-fluorocyclobutyl)-3,6-dimethylquinazolin-4-one?
8-[(1R)-1-aminoethyl]-2-(1-fluorocyclobutyl)-3,6-dimethylquinazolin-4-one has a molecular weight of 289.35 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1R)-1-aminoethyl]-2-(1-fluorocyclobutyl)-3,6-dimethylquinazolin-4-one is sourced from PubChem (CID 169154875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).