4-ethylsulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one

C10H14N2OS — CID 7185535

IUPAC4-ethylsulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one
SMILESCCSc1nc(=O)[nH]c2c1CCCC2
InChIInChI=1S/C10H14N2OS/c1-2-14-9-7-5-3-4-6-8(7)11-10(13)12-9/h2-6H2,1H3,(H,11,12,13)
InChIKeyZXTVVMPAXURQJT-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.76
Rot. Bonds2

About 4-ethylsulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one

4-ethylsulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one (PubChem CID 7185535) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 4-ethylsulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one.

Molecular Properties

Compound Name4-ethylsulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one
PubChem CID7185535
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name4-ethylsulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one
SMILESCCSc1nc(=O)[nH]c2c1CCCC2
InChIInChI=1S/C10H14N2OS/c1-2-14-9-7-5-3-4-6-8(7)11-10(13)12-9/h2-6H2,1H3,(H,11,12,13)
InChIKeyZXTVVMPAXURQJT-UHFFFAOYSA-N
XLogP1.76
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
The IUPAC name of 4-ethylsulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one (CID 7185535) is 4-ethylsulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one.
What is the SMILES notation for 4-ethylsulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
The canonical SMILES for 4-ethylsulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one is CCSc1nc(=O)[nH]c2c1CCCC2.
What is the InChIKey of 4-ethylsulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
The InChIKey is ZXTVVMPAXURQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-2-14-9-7-5-3-4-6-8(7)11-10(13)12-9/h2-6H2,1H3,(H,11,12,13).
What are the key properties of 4-ethylsulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
4-ethylsulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one has a molecular weight of 210.30 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one is sourced from PubChem (CID 7185535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).