1-(2-methoxyethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one

C16H24N4O2 — CID 133462296

IUPAC1-(2-methoxyethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one
SMILESCOCCN1CCN(c2nc(C)nc3c2CCCC3)CC1=O
InChIInChI=1S/C16H24N4O2/c1-12-17-14-6-4-3-5-13(14)16(18-12)20-8-7-19(9-10-22-2)15(21)11-20/h3-11H2,1-2H3
InChIKeyNUSJGBFGLYXNKW-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.96
Rot. Bonds4

About 1-(2-methoxyethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one

1-(2-methoxyethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one (PubChem CID 133462296) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one
PubChem CID133462296
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name1-(2-methoxyethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one
SMILESCOCCN1CCN(c2nc(C)nc3c2CCCC3)CC1=O
InChIInChI=1S/C16H24N4O2/c1-12-17-14-6-4-3-5-13(14)16(18-12)20-8-7-19(9-10-22-2)15(21)11-20/h3-11H2,1-2H3
InChIKeyNUSJGBFGLYXNKW-UHFFFAOYSA-N
XLogP0.96
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one (CID 133462296) is 1-(2-methoxyethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one is COCCN1CCN(c2nc(C)nc3c2CCCC3)CC1=O.
What is the InChIKey of 1-(2-methoxyethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one?
The InChIKey is NUSJGBFGLYXNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-12-17-14-6-4-3-5-13(14)16(18-12)20-8-7-19(9-10-22-2)15(21)11-20/h3-11H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one?
1-(2-methoxyethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one has a molecular weight of 304.39 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one is sourced from PubChem (CID 133462296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).