8-hydroxy-1-methyl-3-[1-(methylamino)ethyl]quinazoline-2,4-dione

C12H15N3O3 — CID 117263297

IUPAC8-hydroxy-1-methyl-3-[1-(methylamino)ethyl]quinazoline-2,4-dione
SMILESCNC(C)n1c(=O)c2cccc(O)c2n(C)c1=O
InChIInChI=1S/C12H15N3O3/c1-7(13-2)15-11(17)8-5-4-6-9(16)10(8)14(3)12(15)18/h4-7,13,16H,1-3H3
InChIKeyADDNGLQLJQBVEJ-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.14
Rot. Bonds2

About 8-hydroxy-1-methyl-3-[1-(methylamino)ethyl]quinazoline-2,4-dione

8-hydroxy-1-methyl-3-[1-(methylamino)ethyl]quinazoline-2,4-dione (PubChem CID 117263297) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 8-hydroxy-1-methyl-3-[1-(methylamino)ethyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name8-hydroxy-1-methyl-3-[1-(methylamino)ethyl]quinazoline-2,4-dione
PubChem CID117263297
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name8-hydroxy-1-methyl-3-[1-(methylamino)ethyl]quinazoline-2,4-dione
SMILESCNC(C)n1c(=O)c2cccc(O)c2n(C)c1=O
InChIInChI=1S/C12H15N3O3/c1-7(13-2)15-11(17)8-5-4-6-9(16)10(8)14(3)12(15)18/h4-7,13,16H,1-3H3
InChIKeyADDNGLQLJQBVEJ-UHFFFAOYSA-N
XLogP0.14
TPSA76.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

8-hydroxy-1-methyl-3-[3-(methylamino)propyl]quinazoline-2,4-dione
CID 117263377
1,6-dimethyl-3-[1-(methylamino)ethyl]quinazoline-2,4-dione
CID 117262593
1-methyl-3-[1-(methylamino)ethyl]-6-(trifluoromethyl)quinazoline-2,4-dione
CID 117262585
8-chloro-3-[1-(methylamino)ethyl]-1H-quinazoline-2,4-dione
CID 117263269
2-chloro-5-hydroxy-3-[1-(methylamino)ethyl]quinazolin-4-one
CID 117263689
3-(1-aminoethyl)-5-hydroxy-1-methylquinazoline-2,4-dione
CID 117262279
5-hydroxy-2,3-dimethylisoquinolin-1-one
CID 115063617
4-(aminomethyl)-8-hydroxy-1-methylquinolin-2-one
CID 115023405
1-methyl-3-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
CID 146615670
3-[1-(methylamino)ethyl]-1-propan-2-ylindol-7-ol
CID 117197935
2-bromo-1,3-dimethylindol-7-ol
CID 117127883
3-(1-aminoethyl)-2-chloro-8-hydroxyquinazolin-4-one
CID 117264743

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-1-methyl-3-[1-(methylamino)ethyl]quinazoline-2,4-dione?
The IUPAC name of 8-hydroxy-1-methyl-3-[1-(methylamino)ethyl]quinazoline-2,4-dione (CID 117263297) is 8-hydroxy-1-methyl-3-[1-(methylamino)ethyl]quinazoline-2,4-dione.
What is the SMILES notation for 8-hydroxy-1-methyl-3-[1-(methylamino)ethyl]quinazoline-2,4-dione?
The canonical SMILES for 8-hydroxy-1-methyl-3-[1-(methylamino)ethyl]quinazoline-2,4-dione is CNC(C)n1c(=O)c2cccc(O)c2n(C)c1=O.
What is the InChIKey of 8-hydroxy-1-methyl-3-[1-(methylamino)ethyl]quinazoline-2,4-dione?
The InChIKey is ADDNGLQLJQBVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-7(13-2)15-11(17)8-5-4-6-9(16)10(8)14(3)12(15)18/h4-7,13,16H,1-3H3.
What are the key properties of 8-hydroxy-1-methyl-3-[1-(methylamino)ethyl]quinazoline-2,4-dione?
8-hydroxy-1-methyl-3-[1-(methylamino)ethyl]quinazoline-2,4-dione has a molecular weight of 249.27 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-1-methyl-3-[1-(methylamino)ethyl]quinazoline-2,4-dione is sourced from PubChem (CID 117263297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).