3-hydroxy-4-methyl-5,6,7,8-tetrahydroquinazolin-2-one;hydrochloride

C9H13ClN2O2 — CID 90201177

IUPAC3-hydroxy-4-methyl-5,6,7,8-tetrahydroquinazolin-2-one;hydrochloride
SMILESCc1c2c(nc(=O)n1O)CCCC2.Cl
InChIInChI=1S/C9H12N2O2.ClH/c1-6-7-4-2-3-5-8(7)10-9(12)11(6)13;/h13H,2-5H2,1H3;1H
InChIKeyHOFOBBWKVYRGIK-UHFFFAOYSA-N
MW216.67 g/mol
LogP1.09
Rot. Bonds

About 3-hydroxy-4-methyl-5,6,7,8-tetrahydroquinazolin-2-one;hydrochloride

3-hydroxy-4-methyl-5,6,7,8-tetrahydroquinazolin-2-one;hydrochloride (PubChem CID 90201177) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is 3-hydroxy-4-methyl-5,6,7,8-tetrahydroquinazolin-2-one;hydrochloride.

Molecular Properties

Compound Name3-hydroxy-4-methyl-5,6,7,8-tetrahydroquinazolin-2-one;hydrochloride
PubChem CID90201177
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC Name3-hydroxy-4-methyl-5,6,7,8-tetrahydroquinazolin-2-one;hydrochloride
SMILESCc1c2c(nc(=O)n1O)CCCC2.Cl
InChIInChI=1S/C9H12N2O2.ClH/c1-6-7-4-2-3-5-8(7)10-9(12)11(6)13;/h13H,2-5H2,1H3;1H
InChIKeyHOFOBBWKVYRGIK-UHFFFAOYSA-N
XLogP1.09
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methyl-5,6,7,8-tetrahydroquinazolin-2-one;hydrochloride?
The IUPAC name of 3-hydroxy-4-methyl-5,6,7,8-tetrahydroquinazolin-2-one;hydrochloride (CID 90201177) is 3-hydroxy-4-methyl-5,6,7,8-tetrahydroquinazolin-2-one;hydrochloride.
What is the SMILES notation for 3-hydroxy-4-methyl-5,6,7,8-tetrahydroquinazolin-2-one;hydrochloride?
The canonical SMILES for 3-hydroxy-4-methyl-5,6,7,8-tetrahydroquinazolin-2-one;hydrochloride is Cc1c2c(nc(=O)n1O)CCCC2.Cl.
What is the InChIKey of 3-hydroxy-4-methyl-5,6,7,8-tetrahydroquinazolin-2-one;hydrochloride?
The InChIKey is HOFOBBWKVYRGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2.ClH/c1-6-7-4-2-3-5-8(7)10-9(12)11(6)13;/h13H,2-5H2,1H3;1H.
What are the key properties of 3-hydroxy-4-methyl-5,6,7,8-tetrahydroquinazolin-2-one;hydrochloride?
3-hydroxy-4-methyl-5,6,7,8-tetrahydroquinazolin-2-one;hydrochloride has a molecular weight of 216.67 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methyl-5,6,7,8-tetrahydroquinazolin-2-one;hydrochloride is sourced from PubChem (CID 90201177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).