4-amino-1-(2-chlorophenyl)-7-(trifluoromethoxy)quinazolin-2-one

C15H9ClF3N3O2 — CID 147238184

IUPAC4-amino-1-(2-chlorophenyl)-7-(trifluoromethoxy)quinazolin-2-one
SMILESNc1nc(=O)n(-c2ccccc2Cl)c2cc(OC(F)(F)F)ccc12
InChIInChI=1S/C15H9ClF3N3O2/c16-10-3-1-2-4-11(10)22-12-7-8(24-15(17,18)19)5-6-9(12)13(20)21-14(22)23/h1-7H,(H2,20,21,23)
InChIKeyCKGFBRUENCOSRY-UHFFFAOYSA-N
MW355.70 g/mol
LogP3.52
Rot. Bonds2

About 4-amino-1-(2-chlorophenyl)-7-(trifluoromethoxy)quinazolin-2-one

4-amino-1-(2-chlorophenyl)-7-(trifluoromethoxy)quinazolin-2-one (PubChem CID 147238184) has the molecular formula C15H9ClF3N3O2 and a molecular weight of 355.70 g/mol. Its IUPAC name is 4-amino-1-(2-chlorophenyl)-7-(trifluoromethoxy)quinazolin-2-one.

Molecular Properties

Compound Name4-amino-1-(2-chlorophenyl)-7-(trifluoromethoxy)quinazolin-2-one
PubChem CID147238184
Molecular FormulaC15H9ClF3N3O2
Molecular Weight355.70 g/mol
Exact Mass355.03
IUPAC Name4-amino-1-(2-chlorophenyl)-7-(trifluoromethoxy)quinazolin-2-one
SMILESNc1nc(=O)n(-c2ccccc2Cl)c2cc(OC(F)(F)F)ccc12
InChIInChI=1S/C15H9ClF3N3O2/c16-10-3-1-2-4-11(10)22-12-7-8(24-15(17,18)19)5-6-9(12)13(20)21-14(22)23/h1-7H,(H2,20,21,23)
InChIKeyCKGFBRUENCOSRY-UHFFFAOYSA-N
XLogP3.52
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.70
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-amino-1-(2-chlorophenyl)-7-(trifluoromethoxy)quinazolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(trifluoromethoxy)quinazolin-2-one
CID 148724212
4-amino-7-(difluoromethoxy)-1-(3-fluoro-2-methylphenyl)quinazolin-2-one
CID 167528321
6-chloro-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(trifluoromethyl)quinazolin-2-one
CID 150054326
7-chloro-1-(2-chlorophenyl)-6-fluoro-4-(methylamino)quinazolin-2-one
CID 159860748
1-(2-chlorophenyl)-6-(trifluoromethoxy)-2,3-dihydroindazole
CID 166161513
1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(1-fluoroethyl)quinazolin-2-one;hydrofluoride
CID 160669496
2-(trifluoromethoxy)triphenylene
CID 154001040
1-(2-chlorophenyl)-7-methyl-4-(2,2,2-trifluoroethoxy)pyrido[2,3-d]pyrimidin-2-one
CID 157172748
2-(3-chloro-2-fluorophenyl)-5-(trifluoromethoxy)aniline
CID 172676629
(2S)-2-[4-chloro-3-[3-(4-methoxybenzoyl)-2-methyl-6-(trifluoromethoxy)indol-1-yl]phenoxy]propanoic acid
CID 69321687
3,4-diphenyl-6-(trifluoromethoxy)quinolin-2-amine
CID 102531409
5-methyl-2-(trifluoromethoxy)phenanthridin-6-one
CID 138967804

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-chlorophenyl)-7-(trifluoromethoxy)quinazolin-2-one?
The IUPAC name of 4-amino-1-(2-chlorophenyl)-7-(trifluoromethoxy)quinazolin-2-one (CID 147238184) is 4-amino-1-(2-chlorophenyl)-7-(trifluoromethoxy)quinazolin-2-one.
What is the SMILES notation for 4-amino-1-(2-chlorophenyl)-7-(trifluoromethoxy)quinazolin-2-one?
The canonical SMILES for 4-amino-1-(2-chlorophenyl)-7-(trifluoromethoxy)quinazolin-2-one is Nc1nc(=O)n(-c2ccccc2Cl)c2cc(OC(F)(F)F)ccc12.
What is the InChIKey of 4-amino-1-(2-chlorophenyl)-7-(trifluoromethoxy)quinazolin-2-one?
The InChIKey is CKGFBRUENCOSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3N3O2/c16-10-3-1-2-4-11(10)22-12-7-8(24-15(17,18)19)5-6-9(12)13(20)21-14(22)23/h1-7H,(H2,20,21,23).
What are the key properties of 4-amino-1-(2-chlorophenyl)-7-(trifluoromethoxy)quinazolin-2-one?
4-amino-1-(2-chlorophenyl)-7-(trifluoromethoxy)quinazolin-2-one has a molecular weight of 355.70 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-chlorophenyl)-7-(trifluoromethoxy)quinazolin-2-one is sourced from PubChem (CID 147238184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).