6-(1-hydroxyethyl)-3-methyl-1,4-dihydroquinazolin-2-one

C11H14N2O2 — CID 82009258

IUPAC6-(1-hydroxyethyl)-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCC(O)c1ccc2c(c1)CN(C)C(=O)N2
InChIInChI=1S/C11H14N2O2/c1-7(14)8-3-4-10-9(5-8)6-13(2)11(15)12-10/h3-5,7,14H,6H2,1-2H3,(H,12,15)
InChIKeyVYIGXVMVBZUQAO-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.72
Rot. Bonds1

About 6-(1-hydroxyethyl)-3-methyl-1,4-dihydroquinazolin-2-one

6-(1-hydroxyethyl)-3-methyl-1,4-dihydroquinazolin-2-one (PubChem CID 82009258) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 6-(1-hydroxyethyl)-3-methyl-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name6-(1-hydroxyethyl)-3-methyl-1,4-dihydroquinazolin-2-one
PubChem CID82009258
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name6-(1-hydroxyethyl)-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCC(O)c1ccc2c(c1)CN(C)C(=O)N2
InChIInChI=1S/C11H14N2O2/c1-7(14)8-3-4-10-9(5-8)6-13(2)11(15)12-10/h3-5,7,14H,6H2,1-2H3,(H,12,15)
InChIKeyVYIGXVMVBZUQAO-UHFFFAOYSA-N
XLogP1.72
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(1-hydroxyethyl)-3-methyl-1,4-dihydroquinazolin-2-one?
The IUPAC name of 6-(1-hydroxyethyl)-3-methyl-1,4-dihydroquinazolin-2-one (CID 82009258) is 6-(1-hydroxyethyl)-3-methyl-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 6-(1-hydroxyethyl)-3-methyl-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 6-(1-hydroxyethyl)-3-methyl-1,4-dihydroquinazolin-2-one is CC(O)c1ccc2c(c1)CN(C)C(=O)N2.
What is the InChIKey of 6-(1-hydroxyethyl)-3-methyl-1,4-dihydroquinazolin-2-one?
The InChIKey is VYIGXVMVBZUQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-7(14)8-3-4-10-9(5-8)6-13(2)11(15)12-10/h3-5,7,14H,6H2,1-2H3,(H,12,15).
What are the key properties of 6-(1-hydroxyethyl)-3-methyl-1,4-dihydroquinazolin-2-one?
6-(1-hydroxyethyl)-3-methyl-1,4-dihydroquinazolin-2-one has a molecular weight of 206.25 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-hydroxyethyl)-3-methyl-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 82009258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).