6-methoxy-3-thiophen-2-yl-1H-quinazoline-2,4-dione

C13H10N2O3S — CID 117261301

IUPAC6-methoxy-3-thiophen-2-yl-1H-quinazoline-2,4-dione
SMILESCOc1ccc2[nH]c(=O)n(-c3cccs3)c(=O)c2c1
InChIInChI=1S/C13H10N2O3S/c1-18-8-4-5-10-9(7-8)12(16)15(13(17)14-10)11-3-2-6-19-11/h2-7H,1H3,(H,14,17)
InChIKeyAMFGATCRZIYMQL-UHFFFAOYSA-N
MW274.30 g/mol
LogP1.75
Rot. Bonds2

About 6-methoxy-3-thiophen-2-yl-1H-quinazoline-2,4-dione

6-methoxy-3-thiophen-2-yl-1H-quinazoline-2,4-dione (PubChem CID 117261301) has the molecular formula C13H10N2O3S and a molecular weight of 274.30 g/mol. Its IUPAC name is 6-methoxy-3-thiophen-2-yl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name6-methoxy-3-thiophen-2-yl-1H-quinazoline-2,4-dione
PubChem CID117261301
Molecular FormulaC13H10N2O3S
Molecular Weight274.30 g/mol
Exact Mass274.04
IUPAC Name6-methoxy-3-thiophen-2-yl-1H-quinazoline-2,4-dione
SMILESCOc1ccc2[nH]c(=O)n(-c3cccs3)c(=O)c2c1
InChIInChI=1S/C13H10N2O3S/c1-18-8-4-5-10-9(7-8)12(16)15(13(17)14-10)11-3-2-6-19-11/h2-7H,1H3,(H,14,17)
InChIKeyAMFGATCRZIYMQL-UHFFFAOYSA-N
XLogP1.75
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-3-pyridin-3-yl-1H-quinazoline-2,4-dione
CID 117261312
6-methoxy-2-thiophen-2-yl-1H-quinolin-4-one
CID 24903566
7-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione
CID 117261702
6-methoxy-3-(2-methoxyphenyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 87203073
6-methoxy-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione
CID 117261267
8-fluoro-3-thiophen-2-yl-1H-quinazoline-2,4-dione
CID 117261846
5-methoxy-2-methyl-3-thiophen-2-yl-1H-indole
CID 53235789
3-(furan-2-ylmethyl)-6-methoxy-1H-quinazoline-2,4-dione
CID 117261447
5-methoxy-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one
CID 117208184
6-hydroxy-3-(2-methoxyphenyl)-1H-quinazoline-2,4-dione
CID 117261398
3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1H-quinazoline-2,4-dione
CID 10066534
6-methoxy-3-(3-phenylmethoxypropyl)-1H-quinazoline-2,4-dione
CID 118869707

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-thiophen-2-yl-1H-quinazoline-2,4-dione?
The IUPAC name of 6-methoxy-3-thiophen-2-yl-1H-quinazoline-2,4-dione (CID 117261301) is 6-methoxy-3-thiophen-2-yl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 6-methoxy-3-thiophen-2-yl-1H-quinazoline-2,4-dione?
The canonical SMILES for 6-methoxy-3-thiophen-2-yl-1H-quinazoline-2,4-dione is COc1ccc2[nH]c(=O)n(-c3cccs3)c(=O)c2c1.
What is the InChIKey of 6-methoxy-3-thiophen-2-yl-1H-quinazoline-2,4-dione?
The InChIKey is AMFGATCRZIYMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3S/c1-18-8-4-5-10-9(7-8)12(16)15(13(17)14-10)11-3-2-6-19-11/h2-7H,1H3,(H,14,17).
What are the key properties of 6-methoxy-3-thiophen-2-yl-1H-quinazoline-2,4-dione?
6-methoxy-3-thiophen-2-yl-1H-quinazoline-2,4-dione has a molecular weight of 274.30 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-thiophen-2-yl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117261301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).