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

C14H19N3O — CID 169155141

IUPAC8-[(1R)-1-aminoethyl]-2-ethyl-3,6-dimethylquinazolin-4-one
SMILESCCc1nc2c([C@@H](C)N)cc(C)cc2c(=O)n1C
InChIInChI=1S/C14H19N3O/c1-5-12-16-13-10(9(3)15)6-8(2)7-11(13)14(18)17(12)4/h6-7,9H,5,15H2,1-4H3/t9-/m1/s1
InChIKeySFNYLULOOTZMFE-SECBINFHSA-N
MW245.33 g/mol
LogP1.82
Rot. Bonds2

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

8-[(1R)-1-aminoethyl]-2-ethyl-3,6-dimethylquinazolin-4-one (PubChem CID 169155141) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 8-[(1R)-1-aminoethyl]-2-ethyl-3,6-dimethylquinazolin-4-one.

Molecular Properties

Compound Name8-[(1R)-1-aminoethyl]-2-ethyl-3,6-dimethylquinazolin-4-one
PubChem CID169155141
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name8-[(1R)-1-aminoethyl]-2-ethyl-3,6-dimethylquinazolin-4-one
SMILESCCc1nc2c([C@@H](C)N)cc(C)cc2c(=O)n1C
InChIInChI=1S/C14H19N3O/c1-5-12-16-13-10(9(3)15)6-8(2)7-11(13)14(18)17(12)4/h6-7,9H,5,15H2,1-4H3/t9-/m1/s1
InChIKeySFNYLULOOTZMFE-SECBINFHSA-N
XLogP1.82
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.82
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-ethyl-3,6-dimethylquinazolin-4-one?
The IUPAC name of 8-[(1R)-1-aminoethyl]-2-ethyl-3,6-dimethylquinazolin-4-one (CID 169155141) is 8-[(1R)-1-aminoethyl]-2-ethyl-3,6-dimethylquinazolin-4-one.
What is the SMILES notation for 8-[(1R)-1-aminoethyl]-2-ethyl-3,6-dimethylquinazolin-4-one?
The canonical SMILES for 8-[(1R)-1-aminoethyl]-2-ethyl-3,6-dimethylquinazolin-4-one is CCc1nc2c([C@@H](C)N)cc(C)cc2c(=O)n1C.
What is the InChIKey of 8-[(1R)-1-aminoethyl]-2-ethyl-3,6-dimethylquinazolin-4-one?
The InChIKey is SFNYLULOOTZMFE-SECBINFHSA-N. The full InChI is InChI=1S/C14H19N3O/c1-5-12-16-13-10(9(3)15)6-8(2)7-11(13)14(18)17(12)4/h6-7,9H,5,15H2,1-4H3/t9-/m1/s1.
What are the key properties of 8-[(1R)-1-aminoethyl]-2-ethyl-3,6-dimethylquinazolin-4-one?
8-[(1R)-1-aminoethyl]-2-ethyl-3,6-dimethylquinazolin-4-one has a molecular weight of 245.33 g/mol, XLogP of 1.82, 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-ethyl-3,6-dimethylquinazolin-4-one is sourced from PubChem (CID 169155141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).