7-bromo-6-chloro-8-(2-hydroxyethylsulfanyl)-1H-quinazoline-2,4-dione

C10H8BrClN2O3S — CID 156508036

IUPAC7-bromo-6-chloro-8-(2-hydroxyethylsulfanyl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)c2cc(Cl)c(Br)c(SCCO)c2[nH]1
InChIInChI=1S/C10H8BrClN2O3S/c11-6-5(12)3-4-7(8(6)18-2-1-15)13-10(17)14-9(4)16/h3,15H,1-2H2,(H2,13,14,16,17)
InChIKeyHADFOMMMLBQTSI-UHFFFAOYSA-N
MW351.61 g/mol
LogP1.72
Rot. Bonds3

About 7-bromo-6-chloro-8-(2-hydroxyethylsulfanyl)-1H-quinazoline-2,4-dione

7-bromo-6-chloro-8-(2-hydroxyethylsulfanyl)-1H-quinazoline-2,4-dione (PubChem CID 156508036) has the molecular formula C10H8BrClN2O3S and a molecular weight of 351.61 g/mol. Its IUPAC name is 7-bromo-6-chloro-8-(2-hydroxyethylsulfanyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name7-bromo-6-chloro-8-(2-hydroxyethylsulfanyl)-1H-quinazoline-2,4-dione
PubChem CID156508036
Molecular FormulaC10H8BrClN2O3S
Molecular Weight351.61 g/mol
Exact Mass349.91
IUPAC Name7-bromo-6-chloro-8-(2-hydroxyethylsulfanyl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)c2cc(Cl)c(Br)c(SCCO)c2[nH]1
InChIInChI=1S/C10H8BrClN2O3S/c11-6-5(12)3-4-7(8(6)18-2-1-15)13-10(17)14-9(4)16/h3,15H,1-2H2,(H2,13,14,16,17)
InChIKeyHADFOMMMLBQTSI-UHFFFAOYSA-N
XLogP1.72
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.61
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-chloro-8-(2-hydroxyethylsulfanyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 7-bromo-6-chloro-8-(2-hydroxyethylsulfanyl)-1H-quinazoline-2,4-dione (CID 156508036) is 7-bromo-6-chloro-8-(2-hydroxyethylsulfanyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 7-bromo-6-chloro-8-(2-hydroxyethylsulfanyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 7-bromo-6-chloro-8-(2-hydroxyethylsulfanyl)-1H-quinazoline-2,4-dione is O=c1[nH]c(=O)c2cc(Cl)c(Br)c(SCCO)c2[nH]1.
What is the InChIKey of 7-bromo-6-chloro-8-(2-hydroxyethylsulfanyl)-1H-quinazoline-2,4-dione?
The InChIKey is HADFOMMMLBQTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2O3S/c11-6-5(12)3-4-7(8(6)18-2-1-15)13-10(17)14-9(4)16/h3,15H,1-2H2,(H2,13,14,16,17).
What are the key properties of 7-bromo-6-chloro-8-(2-hydroxyethylsulfanyl)-1H-quinazoline-2,4-dione?
7-bromo-6-chloro-8-(2-hydroxyethylsulfanyl)-1H-quinazoline-2,4-dione has a molecular weight of 351.61 g/mol, XLogP of 1.72, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-chloro-8-(2-hydroxyethylsulfanyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 156508036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).