2-[3,4-dichloro-5-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one

C15H7Cl2F3N2O2 — CID 168552724

IUPAC2-[3,4-dichloro-5-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cc(Cl)c(Cl)c(OC(F)(F)F)c2)nc2ccccc12
InChIInChI=1S/C15H7Cl2F3N2O2/c16-9-5-7(6-11(12(9)17)24-15(18,19)20)13-21-10-4-2-1-3-8(10)14(23)22-13/h1-6H,(H,21,22,23)
InChIKeyHDYPNLUKTRPESE-UHFFFAOYSA-N
MW375.13 g/mol
LogP4.80
Rot. Bonds2

About 2-[3,4-dichloro-5-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one

2-[3,4-dichloro-5-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one (PubChem CID 168552724) has the molecular formula C15H7Cl2F3N2O2 and a molecular weight of 375.13 g/mol. Its IUPAC name is 2-[3,4-dichloro-5-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[3,4-dichloro-5-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one
PubChem CID168552724
Molecular FormulaC15H7Cl2F3N2O2
Molecular Weight375.13 g/mol
Exact Mass373.98
IUPAC Name2-[3,4-dichloro-5-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cc(Cl)c(Cl)c(OC(F)(F)F)c2)nc2ccccc12
InChIInChI=1S/C15H7Cl2F3N2O2/c16-9-5-7(6-11(12(9)17)24-15(18,19)20)13-21-10-4-2-1-3-8(10)14(23)22-13/h1-6H,(H,21,22,23)
InChIKeyHDYPNLUKTRPESE-UHFFFAOYSA-N
XLogP4.80
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.13
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3,4-dichloro-5-(trifluoromethoxy)phenyl]-1H-benzimidazole
CID 168555235
2-(3-chloro-4-hydroxy-5-methoxyphenyl)-3H-quinazolin-4-one
CID 135452683
2-(3,5-dichlorophenyl)-3H-quinazolin-4-one
CID 168550718
2-[4-fluoro-2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one
CID 168552407
2-(3-chloro-4-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one
CID 168552141
2-[3,6-difluoro-2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one
CID 168552915
2-(3-chloro-4-propoxyphenyl)-3H-quinazolin-4-one
CID 168551941
2-(2-chloro-4-phenylphenyl)-3H-quinazolin-4-one
CID 168551801
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
2-[4-(3,5-dichlorophenyl)phenyl]-3H-quinazolin-4-one
CID 168551464
2-[3-bromo-2-hydroxy-5-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one
CID 168552884
2-[2-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 135597700

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-dichloro-5-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[3,4-dichloro-5-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one (CID 168552724) is 2-[3,4-dichloro-5-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[3,4-dichloro-5-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[3,4-dichloro-5-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one is O=c1[nH]c(-c2cc(Cl)c(Cl)c(OC(F)(F)F)c2)nc2ccccc12.
What is the InChIKey of 2-[3,4-dichloro-5-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one?
The InChIKey is HDYPNLUKTRPESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Cl2F3N2O2/c16-9-5-7(6-11(12(9)17)24-15(18,19)20)13-21-10-4-2-1-3-8(10)14(23)22-13/h1-6H,(H,21,22,23).
What are the key properties of 2-[3,4-dichloro-5-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one?
2-[3,4-dichloro-5-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one has a molecular weight of 375.13 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-dichloro-5-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 168552724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).