3-(1-aminoethyl)-5-hydroxy-1-methylquinazoline-2,4-dione

C11H13N3O3 — CID 117262279

IUPAC3-(1-aminoethyl)-5-hydroxy-1-methylquinazoline-2,4-dione
SMILESCC(N)n1c(=O)c2c(O)cccc2n(C)c1=O
InChIInChI=1S/C11H13N3O3/c1-6(12)14-10(16)9-7(13(2)11(14)17)4-3-5-8(9)15/h3-6,15H,12H2,1-2H3
InChIKeyNGSJJFWGLUHDSX-UHFFFAOYSA-N
MW235.24 g/mol
LogP-0.12
Rot. Bonds1

About 3-(1-aminoethyl)-5-hydroxy-1-methylquinazoline-2,4-dione

3-(1-aminoethyl)-5-hydroxy-1-methylquinazoline-2,4-dione (PubChem CID 117262279) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 3-(1-aminoethyl)-5-hydroxy-1-methylquinazoline-2,4-dione.

Molecular Properties

Compound Name3-(1-aminoethyl)-5-hydroxy-1-methylquinazoline-2,4-dione
PubChem CID117262279
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name3-(1-aminoethyl)-5-hydroxy-1-methylquinazoline-2,4-dione
SMILESCC(N)n1c(=O)c2c(O)cccc2n(C)c1=O
InChIInChI=1S/C11H13N3O3/c1-6(12)14-10(16)9-7(13(2)11(14)17)4-3-5-8(9)15/h3-6,15H,12H2,1-2H3
InChIKeyNGSJJFWGLUHDSX-UHFFFAOYSA-N
XLogP-0.12
TPSA90.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-hydroxy-1-methyl-2-(2-methylpropyl)indazol-3-one
CID 105475857
3-(1-aminoethyl)-1-methyl-6-(trifluoromethyl)quinazoline-2,4-dione
CID 117262584
1-methyl-3-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-dione
CID 146615672
8-hydroxy-1-methyl-3-[1-(methylamino)ethyl]quinazoline-2,4-dione
CID 117263297
3-(1-aminoethyl)-2-chloro-8-hydroxyquinazolin-4-one
CID 117264743
3-amino-3-(1,3-dimethyl-2-oxobenzimidazol-4-yl)propanoic acid
CID 117375732
3-(2-amino-3-hydroxybut-3-enyl)-1,2-dimethylindol-4-ol
CID 145142348
methyl 2-(1,3-dimethyl-2-oxobenzimidazol-4-yl)-2-hydroxyacetate
CID 117378565
3-(2-hydroxypropyl)-1-methyl-5-(trifluoromethyl)quinazoline-2,4-dione
CID 117262041
1,3-dimethyl-5-prop-2-enylquinazoline-2,4-dione
CID 67166704
3-[(1S)-1-aminoethyl]-8-hydroxy-2-phenylisoquinolin-1-one
CID 71273824
3-[(1R)-1-(4-chlorophenyl)ethyl]-1-methylquinazoline-2,4-dione
CID 118499009

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-5-hydroxy-1-methylquinazoline-2,4-dione?
The IUPAC name of 3-(1-aminoethyl)-5-hydroxy-1-methylquinazoline-2,4-dione (CID 117262279) is 3-(1-aminoethyl)-5-hydroxy-1-methylquinazoline-2,4-dione.
What is the SMILES notation for 3-(1-aminoethyl)-5-hydroxy-1-methylquinazoline-2,4-dione?
The canonical SMILES for 3-(1-aminoethyl)-5-hydroxy-1-methylquinazoline-2,4-dione is CC(N)n1c(=O)c2c(O)cccc2n(C)c1=O.
What is the InChIKey of 3-(1-aminoethyl)-5-hydroxy-1-methylquinazoline-2,4-dione?
The InChIKey is NGSJJFWGLUHDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-6(12)14-10(16)9-7(13(2)11(14)17)4-3-5-8(9)15/h3-6,15H,12H2,1-2H3.
What are the key properties of 3-(1-aminoethyl)-5-hydroxy-1-methylquinazoline-2,4-dione?
3-(1-aminoethyl)-5-hydroxy-1-methylquinazoline-2,4-dione has a molecular weight of 235.24 g/mol, XLogP of -0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-5-hydroxy-1-methylquinazoline-2,4-dione is sourced from PubChem (CID 117262279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).