6,8-dichloro-2-(3,5-dichloro-4-hydroxyphenyl)-3H-quinazolin-4-one

C14H6Cl4N2O2 — CID 171642220

IUPAC6,8-dichloro-2-(3,5-dichloro-4-hydroxyphenyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cc(Cl)c(O)c(Cl)c2)nc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C14H6Cl4N2O2/c15-6-3-7-11(8(16)4-6)19-13(20-14(7)22)5-1-9(17)12(21)10(18)2-5/h1-4,21H,(H,19,20,22)
InChIKeyHHULGWGUMCMDHZ-UHFFFAOYSA-N
MW376.03 g/mol
LogP4.91
Rot. Bonds1

About 6,8-dichloro-2-(3,5-dichloro-4-hydroxyphenyl)-3H-quinazolin-4-one

6,8-dichloro-2-(3,5-dichloro-4-hydroxyphenyl)-3H-quinazolin-4-one (PubChem CID 171642220) has the molecular formula C14H6Cl4N2O2 and a molecular weight of 376.03 g/mol. Its IUPAC name is 6,8-dichloro-2-(3,5-dichloro-4-hydroxyphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6,8-dichloro-2-(3,5-dichloro-4-hydroxyphenyl)-3H-quinazolin-4-one
PubChem CID171642220
Molecular FormulaC14H6Cl4N2O2
Molecular Weight376.03 g/mol
Exact Mass373.92
IUPAC Name6,8-dichloro-2-(3,5-dichloro-4-hydroxyphenyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cc(Cl)c(O)c(Cl)c2)nc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C14H6Cl4N2O2/c15-6-3-7-11(8(16)4-6)19-13(20-14(7)22)5-1-9(17)12(21)10(18)2-5/h1-4,21H,(H,19,20,22)
InChIKeyHHULGWGUMCMDHZ-UHFFFAOYSA-N
XLogP4.91
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.03
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-2-(3,5-dichloro-4-hydroxyphenyl)-3H-quinazolin-4-one?
The IUPAC name of 6,8-dichloro-2-(3,5-dichloro-4-hydroxyphenyl)-3H-quinazolin-4-one (CID 171642220) is 6,8-dichloro-2-(3,5-dichloro-4-hydroxyphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 6,8-dichloro-2-(3,5-dichloro-4-hydroxyphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 6,8-dichloro-2-(3,5-dichloro-4-hydroxyphenyl)-3H-quinazolin-4-one is O=c1[nH]c(-c2cc(Cl)c(O)c(Cl)c2)nc2c(Cl)cc(Cl)cc12.
What is the InChIKey of 6,8-dichloro-2-(3,5-dichloro-4-hydroxyphenyl)-3H-quinazolin-4-one?
The InChIKey is HHULGWGUMCMDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Cl4N2O2/c15-6-3-7-11(8(16)4-6)19-13(20-14(7)22)5-1-9(17)12(21)10(18)2-5/h1-4,21H,(H,19,20,22).
What are the key properties of 6,8-dichloro-2-(3,5-dichloro-4-hydroxyphenyl)-3H-quinazolin-4-one?
6,8-dichloro-2-(3,5-dichloro-4-hydroxyphenyl)-3H-quinazolin-4-one has a molecular weight of 376.03 g/mol, XLogP of 4.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-2-(3,5-dichloro-4-hydroxyphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 171642220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).