5-methoxy-3H-quinazolin-4-one;hydrochloride

C9H9ClN2O2 — CID 136504101

IUPAC5-methoxy-3H-quinazolin-4-one;hydrochloride
SMILESCOc1cccc2nc[nH]c(=O)c12.Cl
InChIInChI=1S/C9H8N2O2.ClH/c1-13-7-4-2-3-6-8(7)9(12)11-5-10-6;/h2-5H,1H3,(H,10,11,12);1H
InChIKeyWFGXCTPNYCHVLM-UHFFFAOYSA-N
MW212.64 g/mol
LogP1.35
Rot. Bonds1

About 5-methoxy-3H-quinazolin-4-one;hydrochloride

5-methoxy-3H-quinazolin-4-one;hydrochloride (PubChem CID 136504101) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is 5-methoxy-3H-quinazolin-4-one;hydrochloride.

Molecular Properties

Compound Name5-methoxy-3H-quinazolin-4-one;hydrochloride
PubChem CID136504101
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Name5-methoxy-3H-quinazolin-4-one;hydrochloride
SMILESCOc1cccc2nc[nH]c(=O)c12.Cl
InChIInChI=1S/C9H8N2O2.ClH/c1-13-7-4-2-3-6-8(7)9(12)11-5-10-6;/h2-5H,1H3,(H,10,11,12);1H
InChIKeyWFGXCTPNYCHVLM-UHFFFAOYSA-N
XLogP1.35
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3H-quinazolin-4-one;hydrochloride?
The IUPAC name of 5-methoxy-3H-quinazolin-4-one;hydrochloride (CID 136504101) is 5-methoxy-3H-quinazolin-4-one;hydrochloride.
What is the SMILES notation for 5-methoxy-3H-quinazolin-4-one;hydrochloride?
The canonical SMILES for 5-methoxy-3H-quinazolin-4-one;hydrochloride is COc1cccc2nc[nH]c(=O)c12.Cl.
What is the InChIKey of 5-methoxy-3H-quinazolin-4-one;hydrochloride?
The InChIKey is WFGXCTPNYCHVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2.ClH/c1-13-7-4-2-3-6-8(7)9(12)11-5-10-6;/h2-5H,1H3,(H,10,11,12);1H.
What are the key properties of 5-methoxy-3H-quinazolin-4-one;hydrochloride?
5-methoxy-3H-quinazolin-4-one;hydrochloride has a molecular weight of 212.64 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3H-quinazolin-4-one;hydrochloride is sourced from PubChem (CID 136504101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).