2-[2-chloro-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one

C15H8ClF3N2O — CID 135597698

IUPAC2-[2-chloro-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cc(C(F)(F)F)ccc2Cl)nc2ccccc12
InChIInChI=1S/C15H8ClF3N2O/c16-11-6-5-8(15(17,18)19)7-10(11)13-20-12-4-2-1-3-9(12)14(22)21-13/h1-7H,(H,20,21,22)
InChIKeyHYOLJURUKHTJBS-UHFFFAOYSA-N
MW324.69 g/mol
LogP4.26
Rot. Bonds1

About 2-[2-chloro-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one

2-[2-chloro-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one (PubChem CID 135597698) has the molecular formula C15H8ClF3N2O and a molecular weight of 324.69 g/mol. Its IUPAC name is 2-[2-chloro-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[2-chloro-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
PubChem CID135597698
Molecular FormulaC15H8ClF3N2O
Molecular Weight324.69 g/mol
Exact Mass324.03
IUPAC Name2-[2-chloro-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cc(C(F)(F)F)ccc2Cl)nc2ccccc12
InChIInChI=1S/C15H8ClF3N2O/c16-11-6-5-8(15(17,18)19)7-10(11)13-20-12-4-2-1-3-9(12)14(22)21-13/h1-7H,(H,20,21,22)
InChIKeyHYOLJURUKHTJBS-UHFFFAOYSA-N
XLogP4.26
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.69
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[2-chloro-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one (CID 135597698) is 2-[2-chloro-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[2-chloro-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[2-chloro-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one is O=c1[nH]c(-c2cc(C(F)(F)F)ccc2Cl)nc2ccccc12.
What is the InChIKey of 2-[2-chloro-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one?
The InChIKey is HYOLJURUKHTJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF3N2O/c16-11-6-5-8(15(17,18)19)7-10(11)13-20-12-4-2-1-3-9(12)14(22)21-13/h1-7H,(H,20,21,22).
What are the key properties of 2-[2-chloro-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one?
2-[2-chloro-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one has a molecular weight of 324.69 g/mol, XLogP of 4.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135597698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).