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

C12H14N2O2S — CID 106505731

IUPAC6-ethoxy-7-methoxy-2-methyl-1H-quinazoline-4-thione
SMILESCCOc1cc2c(=S)nc(C)[nH]c2cc1OC
InChIInChI=1S/C12H14N2O2S/c1-4-16-11-5-8-9(6-10(11)15-3)13-7(2)14-12(8)17/h5-6H,4H2,1-3H3,(H,13,14,17)
InChIKeyJTNLPPZOINRVIF-UHFFFAOYSA-N
MW250.32 g/mol
LogP3.01
Rot. Bonds3

About 6-ethoxy-7-methoxy-2-methyl-1H-quinazoline-4-thione

6-ethoxy-7-methoxy-2-methyl-1H-quinazoline-4-thione (PubChem CID 106505731) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 6-ethoxy-7-methoxy-2-methyl-1H-quinazoline-4-thione.

Molecular Properties

Compound Name6-ethoxy-7-methoxy-2-methyl-1H-quinazoline-4-thione
PubChem CID106505731
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name6-ethoxy-7-methoxy-2-methyl-1H-quinazoline-4-thione
SMILESCCOc1cc2c(=S)nc(C)[nH]c2cc1OC
InChIInChI=1S/C12H14N2O2S/c1-4-16-11-5-8-9(6-10(11)15-3)13-7(2)14-12(8)17/h5-6H,4H2,1-3H3,(H,13,14,17)
InChIKeyJTNLPPZOINRVIF-UHFFFAOYSA-N
XLogP3.01
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6,7-diethoxy-2-ethyl-1H-quinazoline-4-thione
CID 106505560
6,7-diethoxy-1H-quinazoline-4-thione
CID 106505559
7-methoxy-2-methyl-1H-quinazoline-4-thione
CID 3715299
6-(3,4-diethoxyphenyl)-2,5-dimethyl-1H-pyrimidine-4-thione
CID 106515166
7,8-dimethoxy-2-methyl-3H-imidazo[4,5-c]quinoline
CID 156713420
6-ethoxy-2-ethyl-7-methoxy-3H-quinazolin-4-one
CID 137010023
6-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrimidine-4-thione
CID 106517107
6,7-diethoxy-3-(2-methoxyethyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 3243613
6,7-dimethoxy-2-methyl-1H-quinolin-4-one;hydrochloride
CID 91665124
6,7-dimethoxy-4-sulfanylidene-1H-quinazolin-2-one
CID 15430356
ethyl 3-formyl-5,6-dimethoxy-1H-indole-2-carboxylate
CID 10660135
2-ethoxy-3,8,9-trimethoxybenzo[c]phenanthridine
CID 10992106

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-7-methoxy-2-methyl-1H-quinazoline-4-thione?
The IUPAC name of 6-ethoxy-7-methoxy-2-methyl-1H-quinazoline-4-thione (CID 106505731) is 6-ethoxy-7-methoxy-2-methyl-1H-quinazoline-4-thione.
What is the SMILES notation for 6-ethoxy-7-methoxy-2-methyl-1H-quinazoline-4-thione?
The canonical SMILES for 6-ethoxy-7-methoxy-2-methyl-1H-quinazoline-4-thione is CCOc1cc2c(=S)nc(C)[nH]c2cc1OC.
What is the InChIKey of 6-ethoxy-7-methoxy-2-methyl-1H-quinazoline-4-thione?
The InChIKey is JTNLPPZOINRVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-4-16-11-5-8-9(6-10(11)15-3)13-7(2)14-12(8)17/h5-6H,4H2,1-3H3,(H,13,14,17).
What are the key properties of 6-ethoxy-7-methoxy-2-methyl-1H-quinazoline-4-thione?
6-ethoxy-7-methoxy-2-methyl-1H-quinazoline-4-thione has a molecular weight of 250.32 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-7-methoxy-2-methyl-1H-quinazoline-4-thione is sourced from PubChem (CID 106505731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).