6-(dimethylamino)-3-methyl-2-sulfanylidene-1H-quinazolin-4-one

C11H13N3OS — CID 114589080

IUPAC6-(dimethylamino)-3-methyl-2-sulfanylidene-1H-quinazolin-4-one
SMILESCN(C)c1ccc2[nH]c(=S)n(C)c(=O)c2c1
InChIInChI=1S/C11H13N3OS/c1-13(2)7-4-5-9-8(6-7)10(15)14(3)11(16)12-9/h4-6H,1-3H3,(H,12,16)
InChIKeyDQGSQLPWBXCYIK-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.66
Rot. Bonds1

About 6-(dimethylamino)-3-methyl-2-sulfanylidene-1H-quinazolin-4-one

6-(dimethylamino)-3-methyl-2-sulfanylidene-1H-quinazolin-4-one (PubChem CID 114589080) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 6-(dimethylamino)-3-methyl-2-sulfanylidene-1H-quinazolin-4-one.

Molecular Properties

Compound Name6-(dimethylamino)-3-methyl-2-sulfanylidene-1H-quinazolin-4-one
PubChem CID114589080
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name6-(dimethylamino)-3-methyl-2-sulfanylidene-1H-quinazolin-4-one
SMILESCN(C)c1ccc2[nH]c(=S)n(C)c(=O)c2c1
InChIInChI=1S/C11H13N3OS/c1-13(2)7-4-5-9-8(6-7)10(15)14(3)11(16)12-9/h4-6H,1-3H3,(H,12,16)
InChIKeyDQGSQLPWBXCYIK-UHFFFAOYSA-N
XLogP1.66
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.66
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

3,6-dimethyl-2-sulfanylidene-1H-quinazolin-4-one
CID 18918914
6-(dimethylamino)-3-(2-methoxyethyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 3240539
N-[[4-(dimethylamino)phenyl]methyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 27888371
6-(dimethylamino)-1H-3,1-benzoxazine-2,4-dione
CID 12715795
6-(dimethylamino)-4-oxo-1H-quinoline-2-carbonitrile
CID 82241708
N-[1-(4-chlorophenyl)ethyl]-N,3-dimethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 134003965
3-N,3-N,6-N,6-N-tetrakis[4-(dimethylamino)phenyl]-9H-carbazole-3,6-diamine
CID 58925352
5-amino-3-methyl-2-sulfanylidene-1H-quinazolin-4-one
CID 114589125
6-bromo-3-methyl-1H-quinazoline-2,4-dione
CID 3881862
N-tert-butyl-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 51111034
6-fluoro-3-[3-(4-methoxy-N-methylanilino)propyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 88587837
3-ethyl-6-methyl-2-sulfanylidene-1H-quinazolin-4-one
CID 114588843

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-3-methyl-2-sulfanylidene-1H-quinazolin-4-one?
The IUPAC name of 6-(dimethylamino)-3-methyl-2-sulfanylidene-1H-quinazolin-4-one (CID 114589080) is 6-(dimethylamino)-3-methyl-2-sulfanylidene-1H-quinazolin-4-one.
What is the SMILES notation for 6-(dimethylamino)-3-methyl-2-sulfanylidene-1H-quinazolin-4-one?
The canonical SMILES for 6-(dimethylamino)-3-methyl-2-sulfanylidene-1H-quinazolin-4-one is CN(C)c1ccc2[nH]c(=S)n(C)c(=O)c2c1.
What is the InChIKey of 6-(dimethylamino)-3-methyl-2-sulfanylidene-1H-quinazolin-4-one?
The InChIKey is DQGSQLPWBXCYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-13(2)7-4-5-9-8(6-7)10(15)14(3)11(16)12-9/h4-6H,1-3H3,(H,12,16).
What are the key properties of 6-(dimethylamino)-3-methyl-2-sulfanylidene-1H-quinazolin-4-one?
6-(dimethylamino)-3-methyl-2-sulfanylidene-1H-quinazolin-4-one has a molecular weight of 235.31 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-3-methyl-2-sulfanylidene-1H-quinazolin-4-one is sourced from PubChem (CID 114589080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).