8-[(1R)-1-aminoethyl]-3,6-dimethyl-2-(1-methylcyclobutyl)quinazolin-4-one

C17H23N3O — CID 169155366

IUPAC8-[(1R)-1-aminoethyl]-3,6-dimethyl-2-(1-methylcyclobutyl)quinazolin-4-one
SMILESCc1cc([C@@H](C)N)c2nc(C3(C)CCC3)n(C)c(=O)c2c1
InChIInChI=1S/C17H23N3O/c1-10-8-12(11(2)18)14-13(9-10)15(21)20(4)16(19-14)17(3)6-5-7-17/h8-9,11H,5-7,18H2,1-4H3/t11-/m1/s1
InChIKeyQFUQAASEKVUHSN-LLVKDONJSA-N
MW285.39 g/mol
LogP2.70
Rot. Bonds2

About 8-[(1R)-1-aminoethyl]-3,6-dimethyl-2-(1-methylcyclobutyl)quinazolin-4-one

8-[(1R)-1-aminoethyl]-3,6-dimethyl-2-(1-methylcyclobutyl)quinazolin-4-one (PubChem CID 169155366) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 8-[(1R)-1-aminoethyl]-3,6-dimethyl-2-(1-methylcyclobutyl)quinazolin-4-one.

Molecular Properties

Compound Name8-[(1R)-1-aminoethyl]-3,6-dimethyl-2-(1-methylcyclobutyl)quinazolin-4-one
PubChem CID169155366
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name8-[(1R)-1-aminoethyl]-3,6-dimethyl-2-(1-methylcyclobutyl)quinazolin-4-one
SMILESCc1cc([C@@H](C)N)c2nc(C3(C)CCC3)n(C)c(=O)c2c1
InChIInChI=1S/C17H23N3O/c1-10-8-12(11(2)18)14-13(9-10)15(21)20(4)16(19-14)17(3)6-5-7-17/h8-9,11H,5-7,18H2,1-4H3/t11-/m1/s1
InChIKeyQFUQAASEKVUHSN-LLVKDONJSA-N
XLogP2.70
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.70
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]-3,6-dimethyl-2-(1-methylcyclobutyl)quinazolin-4-one?
The IUPAC name of 8-[(1R)-1-aminoethyl]-3,6-dimethyl-2-(1-methylcyclobutyl)quinazolin-4-one (CID 169155366) is 8-[(1R)-1-aminoethyl]-3,6-dimethyl-2-(1-methylcyclobutyl)quinazolin-4-one.
What is the SMILES notation for 8-[(1R)-1-aminoethyl]-3,6-dimethyl-2-(1-methylcyclobutyl)quinazolin-4-one?
The canonical SMILES for 8-[(1R)-1-aminoethyl]-3,6-dimethyl-2-(1-methylcyclobutyl)quinazolin-4-one is Cc1cc([C@@H](C)N)c2nc(C3(C)CCC3)n(C)c(=O)c2c1.
What is the InChIKey of 8-[(1R)-1-aminoethyl]-3,6-dimethyl-2-(1-methylcyclobutyl)quinazolin-4-one?
The InChIKey is QFUQAASEKVUHSN-LLVKDONJSA-N. The full InChI is InChI=1S/C17H23N3O/c1-10-8-12(11(2)18)14-13(9-10)15(21)20(4)16(19-14)17(3)6-5-7-17/h8-9,11H,5-7,18H2,1-4H3/t11-/m1/s1.
What are the key properties of 8-[(1R)-1-aminoethyl]-3,6-dimethyl-2-(1-methylcyclobutyl)quinazolin-4-one?
8-[(1R)-1-aminoethyl]-3,6-dimethyl-2-(1-methylcyclobutyl)quinazolin-4-one has a molecular weight of 285.39 g/mol, XLogP of 2.70, 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]-3,6-dimethyl-2-(1-methylcyclobutyl)quinazolin-4-one is sourced from PubChem (CID 169155366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).