7-methyl-3-[2-(methylamino)ethyl]-1H-quinazoline-2,4-dione

C12H15N3O2 — CID 117262974

IUPAC7-methyl-3-[2-(methylamino)ethyl]-1H-quinazoline-2,4-dione
SMILESCNCCn1c(=O)[nH]c2cc(C)ccc2c1=O
InChIInChI=1S/C12H15N3O2/c1-8-3-4-9-10(7-8)14-12(17)15(11(9)16)6-5-13-2/h3-4,7,13H,5-6H2,1-2H3,(H,14,17)
InChIKeyMGDNSOKVRAPWDM-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.22
Rot. Bonds3

About 7-methyl-3-[2-(methylamino)ethyl]-1H-quinazoline-2,4-dione

7-methyl-3-[2-(methylamino)ethyl]-1H-quinazoline-2,4-dione (PubChem CID 117262974) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 7-methyl-3-[2-(methylamino)ethyl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name7-methyl-3-[2-(methylamino)ethyl]-1H-quinazoline-2,4-dione
PubChem CID117262974
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name7-methyl-3-[2-(methylamino)ethyl]-1H-quinazoline-2,4-dione
SMILESCNCCn1c(=O)[nH]c2cc(C)ccc2c1=O
InChIInChI=1S/C12H15N3O2/c1-8-3-4-9-10(7-8)14-12(17)15(11(9)16)6-5-13-2/h3-4,7,13H,5-6H2,1-2H3,(H,14,17)
InChIKeyMGDNSOKVRAPWDM-UHFFFAOYSA-N
XLogP0.22
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-3-[2-(methylamino)propyl]-1H-quinazoline-2,4-dione
CID 117262976
7-chloro-3-[3-(methylamino)propyl]-1H-quinazoline-2,4-dione
CID 117263030
3-benzyl-7-methyl-1H-quinazoline-2,4-dione
CID 117261590
7-methyl-3-(piperidin-3-ylmethyl)-1H-quinazoline-2,4-dione
CID 117262886
2-(6-methyl-2,4-dioxo-1H-quinazolin-3-yl)acetaldehyde
CID 117262442
7-methyl-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione
CID 117261515
3-cyclopentyl-7-methyl-1H-quinazoline-2,4-dione
CID 117261716
7-bromo-3-(4-hydroxybutyl)-1H-quinazoline-2,4-dione
CID 154768685
3-butyl-6-methyl-1H-benzimidazol-2-one
CID 139627859
3-(2-anilinoethyl)-6,7-dimethoxy-1H-quinazoline-2,4-dione
CID 66502564
3-[(4-methoxyphenyl)methyl]-6-methyl-1H-quinazoline-2,4-dione
CID 22449593
3-(2-methoxyethyl)-6-methyl-1H-benzimidazol-2-one
CID 59144622

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[2-(methylamino)ethyl]-1H-quinazoline-2,4-dione?
The IUPAC name of 7-methyl-3-[2-(methylamino)ethyl]-1H-quinazoline-2,4-dione (CID 117262974) is 7-methyl-3-[2-(methylamino)ethyl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 7-methyl-3-[2-(methylamino)ethyl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 7-methyl-3-[2-(methylamino)ethyl]-1H-quinazoline-2,4-dione is CNCCn1c(=O)[nH]c2cc(C)ccc2c1=O.
What is the InChIKey of 7-methyl-3-[2-(methylamino)ethyl]-1H-quinazoline-2,4-dione?
The InChIKey is MGDNSOKVRAPWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8-3-4-9-10(7-8)14-12(17)15(11(9)16)6-5-13-2/h3-4,7,13H,5-6H2,1-2H3,(H,14,17).
What are the key properties of 7-methyl-3-[2-(methylamino)ethyl]-1H-quinazoline-2,4-dione?
7-methyl-3-[2-(methylamino)ethyl]-1H-quinazoline-2,4-dione has a molecular weight of 233.27 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[2-(methylamino)ethyl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117262974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).