2-(diethylamino)-7-methoxy-1H-quinazoline-4-thione

C13H17N3OS — CID 154252501

IUPAC2-(diethylamino)-7-methoxy-1H-quinazoline-4-thione
SMILESCCN(CC)c1nc(=S)c2ccc(OC)cc2[nH]1
InChIInChI=1S/C13H17N3OS/c1-4-16(5-2)13-14-11-8-9(17-3)6-7-10(11)12(18)15-13/h6-8H,4-5H2,1-3H3,(H,14,15,18)
InChIKeyKNXIZEYNTSSMOI-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.15
Rot. Bonds4

About 2-(diethylamino)-7-methoxy-1H-quinazoline-4-thione

2-(diethylamino)-7-methoxy-1H-quinazoline-4-thione (PubChem CID 154252501) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-(diethylamino)-7-methoxy-1H-quinazoline-4-thione.

Molecular Properties

Compound Name2-(diethylamino)-7-methoxy-1H-quinazoline-4-thione
PubChem CID154252501
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name2-(diethylamino)-7-methoxy-1H-quinazoline-4-thione
SMILESCCN(CC)c1nc(=S)c2ccc(OC)cc2[nH]1
InChIInChI=1S/C13H17N3OS/c1-4-16(5-2)13-14-11-8-9(17-3)6-7-10(11)12(18)15-13/h6-8H,4-5H2,1-3H3,(H,14,15,18)
InChIKeyKNXIZEYNTSSMOI-UHFFFAOYSA-N
XLogP3.15
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.15
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

2-(dimethylamino)-7-methoxy-1H-quinazoline-4-thione
CID 154306617
7-methoxy-2-methyl-1H-quinazoline-4-thione
CID 3715299
ethane;7-methoxy-1H-1,2,3-benzotriazine-4-thione
CID 145125073
7-methoxy-1H-quinazoline-2,4-dione
CID 19604241
N,N-diethyl-7-methoxy-2-methylquinolin-4-amine
CID 71151890
1-ethyl-7-methoxy-9H-pyrido[3,4-b]indol-3-amine
CID 115044226
7-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione
CID 117261702
2-(diethylamino)-7-(trifluoromethoxy)-3H-quinazolin-4-one
CID 139222854
6-methoxy-2-propylsulfanyl-1H-benzimidazole
CID 2650025
8-methoxy-6H-indolo[2,3-b]quinoline
CID 102364479
5-bromo-2-(diethylamino)-6-phenyl-1H-pyrimidine-4-thione
CID 106478924
2-[2-(ethylamino)-1,3-thiazol-4-yl]-7-methoxy-1H-quinolin-4-one
CID 88978515

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-7-methoxy-1H-quinazoline-4-thione?
The IUPAC name of 2-(diethylamino)-7-methoxy-1H-quinazoline-4-thione (CID 154252501) is 2-(diethylamino)-7-methoxy-1H-quinazoline-4-thione.
What is the SMILES notation for 2-(diethylamino)-7-methoxy-1H-quinazoline-4-thione?
The canonical SMILES for 2-(diethylamino)-7-methoxy-1H-quinazoline-4-thione is CCN(CC)c1nc(=S)c2ccc(OC)cc2[nH]1.
What is the InChIKey of 2-(diethylamino)-7-methoxy-1H-quinazoline-4-thione?
The InChIKey is KNXIZEYNTSSMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-4-16(5-2)13-14-11-8-9(17-3)6-7-10(11)12(18)15-13/h6-8H,4-5H2,1-3H3,(H,14,15,18).
What are the key properties of 2-(diethylamino)-7-methoxy-1H-quinazoline-4-thione?
2-(diethylamino)-7-methoxy-1H-quinazoline-4-thione has a molecular weight of 263.37 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-7-methoxy-1H-quinazoline-4-thione is sourced from PubChem (CID 154252501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).