5-methoxy-3-(5-methylthiophen-2-yl)-1H-quinazoline-2,4-dione

C14H12N2O3S — CID 117261010

IUPAC5-methoxy-3-(5-methylthiophen-2-yl)-1H-quinazoline-2,4-dione
SMILESCOc1cccc2[nH]c(=O)n(-c3ccc(C)s3)c(=O)c12
InChIInChI=1S/C14H12N2O3S/c1-8-6-7-11(20-8)16-13(17)12-9(15-14(16)18)4-3-5-10(12)19-2/h3-7H,1-2H3,(H,15,18)
InChIKeyHUKXFHMVPYBRHH-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.06
Rot. Bonds2

About 5-methoxy-3-(5-methylthiophen-2-yl)-1H-quinazoline-2,4-dione

5-methoxy-3-(5-methylthiophen-2-yl)-1H-quinazoline-2,4-dione (PubChem CID 117261010) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 5-methoxy-3-(5-methylthiophen-2-yl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name5-methoxy-3-(5-methylthiophen-2-yl)-1H-quinazoline-2,4-dione
PubChem CID117261010
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Name5-methoxy-3-(5-methylthiophen-2-yl)-1H-quinazoline-2,4-dione
SMILESCOc1cccc2[nH]c(=O)n(-c3ccc(C)s3)c(=O)c12
InChIInChI=1S/C14H12N2O3S/c1-8-6-7-11(20-8)16-13(17)12-9(15-14(16)18)4-3-5-10(12)19-2/h3-7H,1-2H3,(H,15,18)
InChIKeyHUKXFHMVPYBRHH-UHFFFAOYSA-N
XLogP2.06
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one
CID 117208982
8-methoxy-3-(5-methylthiophen-2-yl)-1H-quinazoline-2,4-dione
CID 117261861
5-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione
CID 117261150
5-methoxy-3-propan-2-yl-1H-quinazoline-2,4-dione
CID 117261068
5-methoxy-3-(2-oxopropyl)-1H-quinazoline-2,4-dione
CID 117262084
5-methoxy-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one
CID 117208184
5-methoxy-3-(2-methoxyphenyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 87203020
5-methoxy-2,3-dimethyl-1H-quinolin-4-one
CID 119083522
3-(5-chlorothiophen-2-yl)-7-methoxy-1H-benzimidazol-2-one
CID 117206622
7-chloro-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one
CID 117206604
ethyl 4-fluoro-2-(5-methoxy-2,4-dioxo-1H-quinazolin-3-yl)-4-methylpentanoate
CID 177351770
4-fluoro-3-(2-methoxyphenyl)-1H-benzimidazol-2-one
CID 117209214

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(5-methylthiophen-2-yl)-1H-quinazoline-2,4-dione?
The IUPAC name of 5-methoxy-3-(5-methylthiophen-2-yl)-1H-quinazoline-2,4-dione (CID 117261010) is 5-methoxy-3-(5-methylthiophen-2-yl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 5-methoxy-3-(5-methylthiophen-2-yl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 5-methoxy-3-(5-methylthiophen-2-yl)-1H-quinazoline-2,4-dione is COc1cccc2[nH]c(=O)n(-c3ccc(C)s3)c(=O)c12.
What is the InChIKey of 5-methoxy-3-(5-methylthiophen-2-yl)-1H-quinazoline-2,4-dione?
The InChIKey is HUKXFHMVPYBRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c1-8-6-7-11(20-8)16-13(17)12-9(15-14(16)18)4-3-5-10(12)19-2/h3-7H,1-2H3,(H,15,18).
What are the key properties of 5-methoxy-3-(5-methylthiophen-2-yl)-1H-quinazoline-2,4-dione?
5-methoxy-3-(5-methylthiophen-2-yl)-1H-quinazoline-2,4-dione has a molecular weight of 288.33 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(5-methylthiophen-2-yl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117261010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).