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

C18H24F2N4O — CID 169154790

IUPAC8-[(1R)-1-aminoethyl]-2-[1-(2,2-difluoroethyl)-3-methylazetidin-3-yl]-3,6-dimethylquinazolin-4-one
SMILESCc1cc([C@@H](C)N)c2nc(C3(C)CN(CC(F)F)C3)n(C)c(=O)c2c1
InChIInChI=1S/C18H24F2N4O/c1-10-5-12(11(2)21)15-13(6-10)16(25)23(4)17(22-15)18(3)8-24(9-18)7-14(19)20/h5-6,11,14H,7-9,21H2,1-4H3/t11-/m1/s1
InChIKeyDYRKSORKPRTLEP-LLVKDONJSA-N
MW350.41 g/mol
LogP2.10
Rot. Bonds4

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

8-[(1R)-1-aminoethyl]-2-[1-(2,2-difluoroethyl)-3-methylazetidin-3-yl]-3,6-dimethylquinazolin-4-one (PubChem CID 169154790) has the molecular formula C18H24F2N4O and a molecular weight of 350.41 g/mol. Its IUPAC name is 8-[(1R)-1-aminoethyl]-2-[1-(2,2-difluoroethyl)-3-methylazetidin-3-yl]-3,6-dimethylquinazolin-4-one.

Molecular Properties

Compound Name8-[(1R)-1-aminoethyl]-2-[1-(2,2-difluoroethyl)-3-methylazetidin-3-yl]-3,6-dimethylquinazolin-4-one
PubChem CID169154790
Molecular FormulaC18H24F2N4O
Molecular Weight350.41 g/mol
Exact Mass350.19
IUPAC Name8-[(1R)-1-aminoethyl]-2-[1-(2,2-difluoroethyl)-3-methylazetidin-3-yl]-3,6-dimethylquinazolin-4-one
SMILESCc1cc([C@@H](C)N)c2nc(C3(C)CN(CC(F)F)C3)n(C)c(=O)c2c1
InChIInChI=1S/C18H24F2N4O/c1-10-5-12(11(2)21)15-13(6-10)16(25)23(4)17(22-15)18(3)8-24(9-18)7-14(19)20/h5-6,11,14H,7-9,21H2,1-4H3/t11-/m1/s1
InChIKeyDYRKSORKPRTLEP-LLVKDONJSA-N
XLogP2.10
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-[(1R)-1-aminoethyl]-2-[1-(2,2-difluoroethyl)-3-methylazetidin-3-yl]-3,6-dimethylquinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[(1R)-1-aminoethyl]-2-[1-(2,2-difluoroethyl)-3-methylazetidin-3-yl]-3,6-dimethylquinazolin-4-one?
The IUPAC name of 8-[(1R)-1-aminoethyl]-2-[1-(2,2-difluoroethyl)-3-methylazetidin-3-yl]-3,6-dimethylquinazolin-4-one (CID 169154790) is 8-[(1R)-1-aminoethyl]-2-[1-(2,2-difluoroethyl)-3-methylazetidin-3-yl]-3,6-dimethylquinazolin-4-one.
What is the SMILES notation for 8-[(1R)-1-aminoethyl]-2-[1-(2,2-difluoroethyl)-3-methylazetidin-3-yl]-3,6-dimethylquinazolin-4-one?
The canonical SMILES for 8-[(1R)-1-aminoethyl]-2-[1-(2,2-difluoroethyl)-3-methylazetidin-3-yl]-3,6-dimethylquinazolin-4-one is Cc1cc([C@@H](C)N)c2nc(C3(C)CN(CC(F)F)C3)n(C)c(=O)c2c1.
What is the InChIKey of 8-[(1R)-1-aminoethyl]-2-[1-(2,2-difluoroethyl)-3-methylazetidin-3-yl]-3,6-dimethylquinazolin-4-one?
The InChIKey is DYRKSORKPRTLEP-LLVKDONJSA-N. The full InChI is InChI=1S/C18H24F2N4O/c1-10-5-12(11(2)21)15-13(6-10)16(25)23(4)17(22-15)18(3)8-24(9-18)7-14(19)20/h5-6,11,14H,7-9,21H2,1-4H3/t11-/m1/s1.
What are the key properties of 8-[(1R)-1-aminoethyl]-2-[1-(2,2-difluoroethyl)-3-methylazetidin-3-yl]-3,6-dimethylquinazolin-4-one?
8-[(1R)-1-aminoethyl]-2-[1-(2,2-difluoroethyl)-3-methylazetidin-3-yl]-3,6-dimethylquinazolin-4-one has a molecular weight of 350.41 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1R)-1-aminoethyl]-2-[1-(2,2-difluoroethyl)-3-methylazetidin-3-yl]-3,6-dimethylquinazolin-4-one is sourced from PubChem (CID 169154790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).