6,8-dibromo-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one

C10H8Br2N2OS — CID 115571521

IUPAC6,8-dibromo-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one
SMILESCCn1c(=S)[nH]c2c(Br)cc(Br)cc2c1=O
InChIInChI=1S/C10H8Br2N2OS/c1-2-14-9(15)6-3-5(11)4-7(12)8(6)13-10(14)16/h3-4H,2H2,1H3,(H,13,16)
InChIKeyQQVIEZKEDJYFAF-UHFFFAOYSA-N
MW364.06 g/mol
LogP3.60
Rot. Bonds1

About 6,8-dibromo-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one

6,8-dibromo-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one (PubChem CID 115571521) has the molecular formula C10H8Br2N2OS and a molecular weight of 364.06 g/mol. Its IUPAC name is 6,8-dibromo-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one.

Molecular Properties

Compound Name6,8-dibromo-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one
PubChem CID115571521
Molecular FormulaC10H8Br2N2OS
Molecular Weight364.06 g/mol
Exact Mass361.87
IUPAC Name6,8-dibromo-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one
SMILESCCn1c(=S)[nH]c2c(Br)cc(Br)cc2c1=O
InChIInChI=1S/C10H8Br2N2OS/c1-2-14-9(15)6-3-5(11)4-7(12)8(6)13-10(14)16/h3-4H,2H2,1H3,(H,13,16)
InChIKeyQQVIEZKEDJYFAF-UHFFFAOYSA-N
XLogP3.60
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.06
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-3-ethyl-8-fluoro-2-sulfanylidene-1H-quinazolin-4-one
CID 114589008
7-bromo-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one
CID 114588976
8-bromo-3-ethyl-6-methyl-1H-quinazoline-2,4-dione
CID 114588912
3-ethyl-6-methyl-2-sulfanylidene-1H-quinazolin-4-one
CID 114588843
6-bromo-8-chloro-3-methyl-2-sulfanylidene-1H-quinazolin-4-one
CID 114589056
6,8-dibromo-2-propyl-1H-quinolin-4-one
CID 61477841
6-bromo-3-ethyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306089
2,6-diethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 11054801
6,8-dibromo-3-[4-(naphthalen-1-yloxydiazenyl)phenyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 10940875
6-chloro-3-ethyl-5-phenyl-2-sulfanylidene-1H-pyrimidin-4-one
CID 88817038
N,N,3-triethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 37250315
2-(6,8-dibromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetate
CID 7174426

Frequently Asked Questions

What is the IUPAC name of 6,8-dibromo-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one?
The IUPAC name of 6,8-dibromo-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one (CID 115571521) is 6,8-dibromo-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one.
What is the SMILES notation for 6,8-dibromo-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one?
The canonical SMILES for 6,8-dibromo-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one is CCn1c(=S)[nH]c2c(Br)cc(Br)cc2c1=O.
What is the InChIKey of 6,8-dibromo-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one?
The InChIKey is QQVIEZKEDJYFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2N2OS/c1-2-14-9(15)6-3-5(11)4-7(12)8(6)13-10(14)16/h3-4H,2H2,1H3,(H,13,16).
What are the key properties of 6,8-dibromo-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one?
6,8-dibromo-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one has a molecular weight of 364.06 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromo-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one is sourced from PubChem (CID 115571521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).