6,7-dimethoxy-1H-quinazoline-2,4-dione;hydrochloride

C10H11ClN2O4 — CID 139789848

IUPAC6,7-dimethoxy-1H-quinazoline-2,4-dione;hydrochloride
SMILESCOc1cc2[nH]c(=O)[nH]c(=O)c2cc1OC.Cl
InChIInChI=1S/C10H10N2O4.ClH/c1-15-7-3-5-6(4-8(7)16-2)11-10(14)12-9(5)13;/h3-4H,1-2H3,(H2,11,12,13,14);1H
InChIKeyVEPYXFRELZSXDF-UHFFFAOYSA-N
MW258.66 g/mol
LogP0.66
Rot. Bonds2

About 6,7-dimethoxy-1H-quinazoline-2,4-dione;hydrochloride

6,7-dimethoxy-1H-quinazoline-2,4-dione;hydrochloride (PubChem CID 139789848) has the molecular formula C10H11ClN2O4 and a molecular weight of 258.66 g/mol. Its IUPAC name is 6,7-dimethoxy-1H-quinazoline-2,4-dione;hydrochloride.

Molecular Properties

Compound Name6,7-dimethoxy-1H-quinazoline-2,4-dione;hydrochloride
PubChem CID139789848
Molecular FormulaC10H11ClN2O4
Molecular Weight258.66 g/mol
Exact Mass258.04
IUPAC Name6,7-dimethoxy-1H-quinazoline-2,4-dione;hydrochloride
SMILESCOc1cc2[nH]c(=O)[nH]c(=O)c2cc1OC.Cl
InChIInChI=1S/C10H10N2O4.ClH/c1-15-7-3-5-6(4-8(7)16-2)11-10(14)12-9(5)13;/h3-4H,1-2H3,(H2,11,12,13,14);1H
InChIKeyVEPYXFRELZSXDF-UHFFFAOYSA-N
XLogP0.66
TPSA84.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.66
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-dimethoxy-4-sulfanylidene-1H-quinazolin-2-one
CID 15430356
6-methoxy-1H-quinazoline-2,4-dione;hydrochloride
CID 139789837
6,7-dimethoxy-2-methyl-1H-quinolin-4-one;hydrochloride
CID 91665124
7-methoxy-1H-quinazoline-2,4-dione
CID 19604241
5-iodo-6,7-dimethoxy-1H-quinazoline-2,4-dione
CID 22707040
3-fluoro-6,7-dimethoxy-4-methyl-1H-quinolin-2-one
CID 141228564
8,9-dimethoxy-2,3,4,6-tetrahydro-1H-benzo[c][2,7]naphthyridin-5-one;hydrochloride
CID 22611132
8,9-dimethoxy-5H-phenanthridin-6-one
CID 12703535
6,7-dimethoxy-4-propan-2-yl-1H-quinolin-2-one
CID 167049049
4-amino-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonitrile;hydrate
CID 110169121
1,3,8,9-tetramethoxy-5H-phenanthridin-6-one
CID 12803228
2,3,5,6,8,9-hexamethoxy-11,12-dihydroindolo[2,3-a]carbazole
CID 171935893

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1H-quinazoline-2,4-dione;hydrochloride?
The IUPAC name of 6,7-dimethoxy-1H-quinazoline-2,4-dione;hydrochloride (CID 139789848) is 6,7-dimethoxy-1H-quinazoline-2,4-dione;hydrochloride.
What is the SMILES notation for 6,7-dimethoxy-1H-quinazoline-2,4-dione;hydrochloride?
The canonical SMILES for 6,7-dimethoxy-1H-quinazoline-2,4-dione;hydrochloride is COc1cc2[nH]c(=O)[nH]c(=O)c2cc1OC.Cl.
What is the InChIKey of 6,7-dimethoxy-1H-quinazoline-2,4-dione;hydrochloride?
The InChIKey is VEPYXFRELZSXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4.ClH/c1-15-7-3-5-6(4-8(7)16-2)11-10(14)12-9(5)13;/h3-4H,1-2H3,(H2,11,12,13,14);1H.
What are the key properties of 6,7-dimethoxy-1H-quinazoline-2,4-dione;hydrochloride?
6,7-dimethoxy-1H-quinazoline-2,4-dione;hydrochloride has a molecular weight of 258.66 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1H-quinazoline-2,4-dione;hydrochloride is sourced from PubChem (CID 139789848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).