6,7-diethoxy-2-ethyl-1H-quinazoline-4-thione

C14H18N2O2S — CID 106505560

IUPAC6,7-diethoxy-2-ethyl-1H-quinazoline-4-thione
SMILESCCOc1cc2[nH]c(CC)nc(=S)c2cc1OCC
InChIInChI=1S/C14H18N2O2S/c1-4-13-15-10-8-12(18-6-3)11(17-5-2)7-9(10)14(19)16-13/h7-8H,4-6H2,1-3H3,(H,15,16,19)
InChIKeyDJTHVHKNMYKJAB-UHFFFAOYSA-N
MW278.38 g/mol
LogP3.65
Rot. Bonds5

About 6,7-diethoxy-2-ethyl-1H-quinazoline-4-thione

6,7-diethoxy-2-ethyl-1H-quinazoline-4-thione (PubChem CID 106505560) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 6,7-diethoxy-2-ethyl-1H-quinazoline-4-thione.

Molecular Properties

Compound Name6,7-diethoxy-2-ethyl-1H-quinazoline-4-thione
PubChem CID106505560
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name6,7-diethoxy-2-ethyl-1H-quinazoline-4-thione
SMILESCCOc1cc2[nH]c(CC)nc(=S)c2cc1OCC
InChIInChI=1S/C14H18N2O2S/c1-4-13-15-10-8-12(18-6-3)11(17-5-2)7-9(10)14(19)16-13/h7-8H,4-6H2,1-3H3,(H,15,16,19)
InChIKeyDJTHVHKNMYKJAB-UHFFFAOYSA-N
XLogP3.65
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.65
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-ethoxy-7-methoxy-2-methyl-1H-quinazoline-4-thione
CID 106505731
6,7-diethoxy-1H-quinazoline-4-thione
CID 106505559
6-ethoxy-2-ethyl-7-methoxy-3H-quinazolin-4-one
CID 137010023
6,7-diethoxy-2-propan-2-yl-1H-quinolin-4-one
CID 43667984
2-ethyl-6-fluoro-8-methyl-1H-quinazoline-4-thione
CID 106505502
6,7-diethoxy-3-(2-methoxyethyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 3243613
6,7-diethoxy-3-(3-methylbutyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 5044544
2-ethyl-8-fluoro-1H-quinazoline-4-thione
CID 106505547
3-[(4-chlorophenyl)methyl]-6,7-diethoxy-2-sulfanylidene-1H-quinazolin-4-one
CID 3261614
5-bromo-2-ethyl-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106480655
4-(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanoic acid
CID 4154798
2-ethyl-5-methyl-6-(3,4,5-trifluorophenyl)-1H-pyrimidine-4-thione
CID 106515648

Frequently Asked Questions

What is the IUPAC name of 6,7-diethoxy-2-ethyl-1H-quinazoline-4-thione?
The IUPAC name of 6,7-diethoxy-2-ethyl-1H-quinazoline-4-thione (CID 106505560) is 6,7-diethoxy-2-ethyl-1H-quinazoline-4-thione.
What is the SMILES notation for 6,7-diethoxy-2-ethyl-1H-quinazoline-4-thione?
The canonical SMILES for 6,7-diethoxy-2-ethyl-1H-quinazoline-4-thione is CCOc1cc2[nH]c(CC)nc(=S)c2cc1OCC.
What is the InChIKey of 6,7-diethoxy-2-ethyl-1H-quinazoline-4-thione?
The InChIKey is DJTHVHKNMYKJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-4-13-15-10-8-12(18-6-3)11(17-5-2)7-9(10)14(19)16-13/h7-8H,4-6H2,1-3H3,(H,15,16,19).
What are the key properties of 6,7-diethoxy-2-ethyl-1H-quinazoline-4-thione?
6,7-diethoxy-2-ethyl-1H-quinazoline-4-thione has a molecular weight of 278.38 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethoxy-2-ethyl-1H-quinazoline-4-thione is sourced from PubChem (CID 106505560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).