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

C15H8ClF3N2O — CID 168550858

IUPAC2-[5-chloro-2-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cc(Cl)ccc2C(F)(F)F)nc2ccccc12
InChIInChI=1S/C15H8ClF3N2O/c16-8-5-6-11(15(17,18)19)10(7-8)13-20-12-4-2-1-3-9(12)14(22)21-13/h1-7H,(H,20,21,22)
InChIKeyRDHLVGQZKNAHMZ-UHFFFAOYSA-N
MW324.69 g/mol
LogP4.26
Rot. Bonds1

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

2-[5-chloro-2-(trifluoromethyl)phenyl]-3H-quinazolin-4-one (PubChem CID 168550858) has the molecular formula C15H8ClF3N2O and a molecular weight of 324.69 g/mol. Its IUPAC name is 2-[5-chloro-2-(trifluoromethyl)phenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[5-chloro-2-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
PubChem CID168550858
Molecular FormulaC15H8ClF3N2O
Molecular Weight324.69 g/mol
Exact Mass324.03
IUPAC Name2-[5-chloro-2-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cc(Cl)ccc2C(F)(F)F)nc2ccccc12
InChIInChI=1S/C15H8ClF3N2O/c16-8-5-6-11(15(17,18)19)10(7-8)13-20-12-4-2-1-3-9(12)14(22)21-13/h1-7H,(H,20,21,22)
InChIKeyRDHLVGQZKNAHMZ-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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Related Compounds

2-[2-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 135597700
2-[2-bromo-6-fluoro-3-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 168552940
2-(3,5-dichlorophenyl)-3H-quinazolin-4-one
CID 168550718
[4-chloro-2-(4-oxo-3H-quinazolin-2-yl)phenyl] dihydrogen phosphate
CID 135532368
2-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]-3H-quinazolin-4-one
CID 168553277
2-[3-(1,1,2,2,3,3,3-heptafluoropropyl)-4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 168552892
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-(trifluoromethyl)-1-benzothiophen-4-yl]-3H-quinazolin-4-one
CID 168552920
2-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 168551891
2-(3-chloro-2-fluorophenyl)-3H-quinazolin-4-one
CID 168511648
2-[5-(bromomethyl)-2-fluorophenyl]-3H-quinazolin-4-one
CID 168553251

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(trifluoromethyl)phenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[5-chloro-2-(trifluoromethyl)phenyl]-3H-quinazolin-4-one (CID 168550858) is 2-[5-chloro-2-(trifluoromethyl)phenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[5-chloro-2-(trifluoromethyl)phenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[5-chloro-2-(trifluoromethyl)phenyl]-3H-quinazolin-4-one is O=c1[nH]c(-c2cc(Cl)ccc2C(F)(F)F)nc2ccccc12.
What is the InChIKey of 2-[5-chloro-2-(trifluoromethyl)phenyl]-3H-quinazolin-4-one?
The InChIKey is RDHLVGQZKNAHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF3N2O/c16-8-5-6-11(15(17,18)19)10(7-8)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-[5-chloro-2-(trifluoromethyl)phenyl]-3H-quinazolin-4-one?
2-[5-chloro-2-(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-[5-chloro-2-(trifluoromethyl)phenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 168550858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).