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

C11H13N3OS — CID 154306617

IUPAC2-(dimethylamino)-7-methoxy-1H-quinazoline-4-thione
SMILESCOc1ccc2c(=S)nc(N(C)C)[nH]c2c1
InChIInChI=1S/C11H13N3OS/c1-14(2)11-12-9-6-7(15-3)4-5-8(9)10(16)13-11/h4-6H,1-3H3,(H,12,13,16)
InChIKeyLJQOFZNJIACFSG-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.37
Rot. Bonds2

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

2-(dimethylamino)-7-methoxy-1H-quinazoline-4-thione (PubChem CID 154306617) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-(dimethylamino)-7-methoxy-1H-quinazoline-4-thione.

Molecular Properties

Compound Name2-(dimethylamino)-7-methoxy-1H-quinazoline-4-thione
PubChem CID154306617
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name2-(dimethylamino)-7-methoxy-1H-quinazoline-4-thione
SMILESCOc1ccc2c(=S)nc(N(C)C)[nH]c2c1
InChIInChI=1S/C11H13N3OS/c1-14(2)11-12-9-6-7(15-3)4-5-8(9)10(16)13-11/h4-6H,1-3H3,(H,12,13,16)
InChIKeyLJQOFZNJIACFSG-UHFFFAOYSA-N
XLogP2.37
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.37
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-(diethylamino)-7-methoxy-1H-quinazoline-4-thione
CID 154252501
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
7-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione
CID 117261702
4-hydroxy-3,7-dimethoxy-1H-quinolin-2-one
CID 139718554
8-methoxy-6H-indolo[2,3-b]quinoline
CID 102364479
3-(dimethylamino)-6-methoxy-2H-isoquinolin-1-one
CID 12608911
6-methoxy-1H-indole-2,3-dicarbaldehyde
CID 89262984
6-methoxy-3-methyl-1H-indole-2-carbaldehyde
CID 23022136
3-methoxy-5H-phenanthridin-6-one
CID 12706603
7-methoxy-9H-carbazole-2-carbonitrile
CID 10775390

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-7-methoxy-1H-quinazoline-4-thione?
The IUPAC name of 2-(dimethylamino)-7-methoxy-1H-quinazoline-4-thione (CID 154306617) is 2-(dimethylamino)-7-methoxy-1H-quinazoline-4-thione.
What is the SMILES notation for 2-(dimethylamino)-7-methoxy-1H-quinazoline-4-thione?
The canonical SMILES for 2-(dimethylamino)-7-methoxy-1H-quinazoline-4-thione is COc1ccc2c(=S)nc(N(C)C)[nH]c2c1.
What is the InChIKey of 2-(dimethylamino)-7-methoxy-1H-quinazoline-4-thione?
The InChIKey is LJQOFZNJIACFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-14(2)11-12-9-6-7(15-3)4-5-8(9)10(16)13-11/h4-6H,1-3H3,(H,12,13,16).
What are the key properties of 2-(dimethylamino)-7-methoxy-1H-quinazoline-4-thione?
2-(dimethylamino)-7-methoxy-1H-quinazoline-4-thione has a molecular weight of 235.31 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-7-methoxy-1H-quinazoline-4-thione is sourced from PubChem (CID 154306617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).