8-ethyl-2-sulfanylidene-1H-quinazolin-4-one

C10H10N2OS — CID 114588827

IUPAC8-ethyl-2-sulfanylidene-1H-quinazolin-4-one
SMILESCCc1cccc2c(=O)[nH]c(=S)[nH]c12
InChIInChI=1S/C10H10N2OS/c1-2-6-4-3-5-7-8(6)11-10(14)12-9(7)13/h3-5H,2H2,1H3,(H2,11,12,13,14)
InChIKeyKOWIRZODQJCSLV-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.15
Rot. Bonds1

About 8-ethyl-2-sulfanylidene-1H-quinazolin-4-one

8-ethyl-2-sulfanylidene-1H-quinazolin-4-one (PubChem CID 114588827) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 8-ethyl-2-sulfanylidene-1H-quinazolin-4-one.

Molecular Properties

Compound Name8-ethyl-2-sulfanylidene-1H-quinazolin-4-one
PubChem CID114588827
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name8-ethyl-2-sulfanylidene-1H-quinazolin-4-one
SMILESCCc1cccc2c(=O)[nH]c(=S)[nH]c12
InChIInChI=1S/C10H10N2OS/c1-2-6-4-3-5-7-8(6)11-10(14)12-9(7)13/h3-5H,2H2,1H3,(H2,11,12,13,14)
InChIKeyKOWIRZODQJCSLV-UHFFFAOYSA-N
XLogP2.15
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 84625460
8-ethyl-2-propan-2-yl-1H-quinolin-4-one
CID 43668106
8-ethyl-2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylic acid
CID 84637722
5,8-diethyl-1,4-dihydroquinoxaline-2,3-dione
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CID 21239672
5-[(2,3-dichlorophenyl)methyl]-6-ethyl-2-sulfanylidene-1H-pyrimidin-4-one
CID 83954837
2-(7-ethyl-2-methyl-1H-indol-3-yl)propan-2-amine
CID 84622480
1-(3-bromo-7-ethyl-1H-indol-2-yl)ethanone
CID 82372708
6-bromo-8-methyl-2-sulfanylidene-1H-quinazolin-4-one
CID 114589018
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CID 13271010
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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2-sulfanylidene-1H-quinazolin-4-one?
The IUPAC name of 8-ethyl-2-sulfanylidene-1H-quinazolin-4-one (CID 114588827) is 8-ethyl-2-sulfanylidene-1H-quinazolin-4-one.
What is the SMILES notation for 8-ethyl-2-sulfanylidene-1H-quinazolin-4-one?
The canonical SMILES for 8-ethyl-2-sulfanylidene-1H-quinazolin-4-one is CCc1cccc2c(=O)[nH]c(=S)[nH]c12.
What is the InChIKey of 8-ethyl-2-sulfanylidene-1H-quinazolin-4-one?
The InChIKey is KOWIRZODQJCSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-2-6-4-3-5-7-8(6)11-10(14)12-9(7)13/h3-5H,2H2,1H3,(H2,11,12,13,14).
What are the key properties of 8-ethyl-2-sulfanylidene-1H-quinazolin-4-one?
8-ethyl-2-sulfanylidene-1H-quinazolin-4-one has a molecular weight of 206.27 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2-sulfanylidene-1H-quinazolin-4-one is sourced from PubChem (CID 114588827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).