7-methoxy-2-methyl-1H-quinazoline-4-thione

C10H10N2OS — CID 3715299

IUPAC7-methoxy-2-methyl-1H-quinazoline-4-thione
SMILESCOc1ccc2c(=S)nc(C)[nH]c2c1
InChIInChI=1S/C10H10N2OS/c1-6-11-9-5-7(13-2)3-4-8(9)10(14)12-6/h3-5H,1-2H3,(H,11,12,14)
InChIKeyXZDBLENMVALAHT-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.61
Rot. Bonds1

About 7-methoxy-2-methyl-1H-quinazoline-4-thione

7-methoxy-2-methyl-1H-quinazoline-4-thione (PubChem CID 3715299) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 7-methoxy-2-methyl-1H-quinazoline-4-thione.

Molecular Properties

Compound Name7-methoxy-2-methyl-1H-quinazoline-4-thione
PubChem CID3715299
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name7-methoxy-2-methyl-1H-quinazoline-4-thione
SMILESCOc1ccc2c(=S)nc(C)[nH]c2c1
InChIInChI=1S/C10H10N2OS/c1-6-11-9-5-7(13-2)3-4-8(9)10(14)12-6/h3-5H,1-2H3,(H,11,12,14)
InChIKeyXZDBLENMVALAHT-UHFFFAOYSA-N
XLogP2.61
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-1H-quinazoline-4-thione?
The IUPAC name of 7-methoxy-2-methyl-1H-quinazoline-4-thione (CID 3715299) is 7-methoxy-2-methyl-1H-quinazoline-4-thione.
What is the SMILES notation for 7-methoxy-2-methyl-1H-quinazoline-4-thione?
The canonical SMILES for 7-methoxy-2-methyl-1H-quinazoline-4-thione is COc1ccc2c(=S)nc(C)[nH]c2c1.
What is the InChIKey of 7-methoxy-2-methyl-1H-quinazoline-4-thione?
The InChIKey is XZDBLENMVALAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-6-11-9-5-7(13-2)3-4-8(9)10(14)12-6/h3-5H,1-2H3,(H,11,12,14).
What are the key properties of 7-methoxy-2-methyl-1H-quinazoline-4-thione?
7-methoxy-2-methyl-1H-quinazoline-4-thione has a molecular weight of 206.27 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-1H-quinazoline-4-thione is sourced from PubChem (CID 3715299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).