6-[benzyl(methyl)amino]-1H-quinazoline-2,4-dione

C16H15N3O2 — CID 13499296

IUPAC6-[benzyl(methyl)amino]-1H-quinazoline-2,4-dione
SMILESCN(Cc1ccccc1)c1ccc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C16H15N3O2/c1-19(10-11-5-3-2-4-6-11)12-7-8-14-13(9-12)15(20)18-16(21)17-14/h2-9H,10H2,1H3,(H2,17,18,20,21)
InChIKeyBDSDGLRUZOFTQR-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.85
Rot. Bonds3

About 6-[benzyl(methyl)amino]-1H-quinazoline-2,4-dione

6-[benzyl(methyl)amino]-1H-quinazoline-2,4-dione (PubChem CID 13499296) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 6-[benzyl(methyl)amino]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name6-[benzyl(methyl)amino]-1H-quinazoline-2,4-dione
PubChem CID13499296
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name6-[benzyl(methyl)amino]-1H-quinazoline-2,4-dione
SMILESCN(Cc1ccccc1)c1ccc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C16H15N3O2/c1-19(10-11-5-3-2-4-6-11)12-7-8-14-13(9-12)15(20)18-16(21)17-14/h2-9H,10H2,1H3,(H2,17,18,20,21)
InChIKeyBDSDGLRUZOFTQR-UHFFFAOYSA-N
XLogP1.85
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[benzyl(methyl)amino]-1H-quinazoline-2,4-dione?
The IUPAC name of 6-[benzyl(methyl)amino]-1H-quinazoline-2,4-dione (CID 13499296) is 6-[benzyl(methyl)amino]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 6-[benzyl(methyl)amino]-1H-quinazoline-2,4-dione?
The canonical SMILES for 6-[benzyl(methyl)amino]-1H-quinazoline-2,4-dione is CN(Cc1ccccc1)c1ccc2[nH]c(=O)[nH]c(=O)c2c1.
What is the InChIKey of 6-[benzyl(methyl)amino]-1H-quinazoline-2,4-dione?
The InChIKey is BDSDGLRUZOFTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-19(10-11-5-3-2-4-6-11)12-7-8-14-13(9-12)15(20)18-16(21)17-14/h2-9H,10H2,1H3,(H2,17,18,20,21).
What are the key properties of 6-[benzyl(methyl)amino]-1H-quinazoline-2,4-dione?
6-[benzyl(methyl)amino]-1H-quinazoline-2,4-dione has a molecular weight of 281.31 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[benzyl(methyl)amino]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 13499296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).