6-methoxy-1H-quinazoline-2,4-dione;hydrochloride

C9H9ClN2O3 — CID 139789837

IUPAC6-methoxy-1H-quinazoline-2,4-dione;hydrochloride
SMILESCOc1ccc2[nH]c(=O)[nH]c(=O)c2c1.Cl
InChIInChI=1S/C9H8N2O3.ClH/c1-14-5-2-3-7-6(4-5)8(12)11-9(13)10-7;/h2-4H,1H3,(H2,10,11,12,13);1H
InChIKeyTUJHXTWLIWCAAE-UHFFFAOYSA-N
MW228.63 g/mol
LogP0.65
Rot. Bonds1

About 6-methoxy-1H-quinazoline-2,4-dione;hydrochloride

6-methoxy-1H-quinazoline-2,4-dione;hydrochloride (PubChem CID 139789837) has the molecular formula C9H9ClN2O3 and a molecular weight of 228.63 g/mol. Its IUPAC name is 6-methoxy-1H-quinazoline-2,4-dione;hydrochloride.

Molecular Properties

Compound Name6-methoxy-1H-quinazoline-2,4-dione;hydrochloride
PubChem CID139789837
Molecular FormulaC9H9ClN2O3
Molecular Weight228.63 g/mol
Exact Mass228.03
IUPAC Name6-methoxy-1H-quinazoline-2,4-dione;hydrochloride
SMILESCOc1ccc2[nH]c(=O)[nH]c(=O)c2c1.Cl
InChIInChI=1S/C9H8N2O3.ClH/c1-14-5-2-3-7-6(4-5)8(12)11-9(13)10-7;/h2-4H,1H3,(H2,10,11,12,13);1H
InChIKeyTUJHXTWLIWCAAE-UHFFFAOYSA-N
XLogP0.65
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.63
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-methoxy-1H-quinazoline-2,4-dione;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-methoxy-1H-quinazoline-2,4-dione
CID 19604241
ethane;5-methoxy-1,3-dihydrobenzimidazol-2-one
CID 143892741
6,7-dimethoxy-1H-quinazoline-2,4-dione;hydrochloride
CID 139789848
3,4-dichloro-6-methoxy-1H-quinolin-2-one
CID 110272519
9-methoxy-6H-benzo[h][1,6]naphthyridin-5-one
CID 58424967
2-methoxy-7-methyl-10H-acridin-9-one
CID 24773760
6-(methylamino)-1H-quinazoline-2,4-dione
CID 89311421
3-amino-6-methoxy-2-oxo-1H-quinoline-4-carboxylic acid
CID 115039979
4-hydroxy-3-[(4-hydroxy-6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-6-methoxy-1H-quinolin-2-one
CID 154585320
3-amino-6-methoxy-2-methyl-1H-quinolin-4-one
CID 91619118
8-methoxy-3,5-dihydrotriazino[5,4-b]indol-4-one
CID 137303794
6-methoxy-9H-carbazol-3-ol
CID 142959347

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1H-quinazoline-2,4-dione;hydrochloride?
The IUPAC name of 6-methoxy-1H-quinazoline-2,4-dione;hydrochloride (CID 139789837) is 6-methoxy-1H-quinazoline-2,4-dione;hydrochloride.
What is the SMILES notation for 6-methoxy-1H-quinazoline-2,4-dione;hydrochloride?
The canonical SMILES for 6-methoxy-1H-quinazoline-2,4-dione;hydrochloride is COc1ccc2[nH]c(=O)[nH]c(=O)c2c1.Cl.
What is the InChIKey of 6-methoxy-1H-quinazoline-2,4-dione;hydrochloride?
The InChIKey is TUJHXTWLIWCAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3.ClH/c1-14-5-2-3-7-6(4-5)8(12)11-9(13)10-7;/h2-4H,1H3,(H2,10,11,12,13);1H.
What are the key properties of 6-methoxy-1H-quinazoline-2,4-dione;hydrochloride?
6-methoxy-1H-quinazoline-2,4-dione;hydrochloride has a molecular weight of 228.63 g/mol, XLogP of 0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1H-quinazoline-2,4-dione;hydrochloride is sourced from PubChem (CID 139789837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).