4-amino-7-(difluoromethoxy)-1-(3-fluoro-2-methylphenyl)quinazolin-2-one

C16H12F3N3O2 — CID 167528321

IUPAC4-amino-7-(difluoromethoxy)-1-(3-fluoro-2-methylphenyl)quinazolin-2-one
SMILESCc1c(F)cccc1-n1c(=O)nc(N)c2ccc(OC(F)F)cc21
InChIInChI=1S/C16H12F3N3O2/c1-8-11(17)3-2-4-12(8)22-13-7-9(24-15(18)19)5-6-10(13)14(20)21-16(22)23/h2-7,15H,1H3,(H2,20,21,23)
InChIKeyGLBVANQAZAUSEH-UHFFFAOYSA-N
MW335.29 g/mol
LogP3.02
Rot. Bonds3

About 4-amino-7-(difluoromethoxy)-1-(3-fluoro-2-methylphenyl)quinazolin-2-one

4-amino-7-(difluoromethoxy)-1-(3-fluoro-2-methylphenyl)quinazolin-2-one (PubChem CID 167528321) has the molecular formula C16H12F3N3O2 and a molecular weight of 335.29 g/mol. Its IUPAC name is 4-amino-7-(difluoromethoxy)-1-(3-fluoro-2-methylphenyl)quinazolin-2-one.

Molecular Properties

Compound Name4-amino-7-(difluoromethoxy)-1-(3-fluoro-2-methylphenyl)quinazolin-2-one
PubChem CID167528321
Molecular FormulaC16H12F3N3O2
Molecular Weight335.29 g/mol
Exact Mass335.09
IUPAC Name4-amino-7-(difluoromethoxy)-1-(3-fluoro-2-methylphenyl)quinazolin-2-one
SMILESCc1c(F)cccc1-n1c(=O)nc(N)c2ccc(OC(F)F)cc21
InChIInChI=1S/C16H12F3N3O2/c1-8-11(17)3-2-4-12(8)22-13-7-9(24-15(18)19)5-6-10(13)14(20)21-16(22)23/h2-7,15H,1H3,(H2,20,21,23)
InChIKeyGLBVANQAZAUSEH-UHFFFAOYSA-N
XLogP3.02
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(difluoromethoxy)-1-methylindazol-3-amine
CID 57476554
4-amino-1-(1-chloroisoquinolin-5-yl)-7-(difluoromethoxy)quinolin-2-one
CID 175932144
1-[4-(difluoromethoxy)phenyl]-4-fluorobenzimidazol-2-amine
CID 60789832
7-(difluoromethoxy)-1-fluoro-3-methylnaphthalene
CID 58839694
2-ethyl-1-(3-fluoro-2-methylphenyl)benzimidazol-5-amine
CID 62507061
6-(difluoromethoxy)-1-ethylindol-3-amine
CID 70844592
4-(difluoromethoxy)-2-dimethylphosphanyloxyaniline;phosphane
CID 170077900
1-[6-(difluoromethoxy)indol-1-yl]ethanone
CID 141341359
4-(difluoromethoxy)-2-fluoro-1-methylbenzene;ethane
CID 142506670
5-[3-(difluoromethoxy)phenyl]-5-methyl-1-propan-2-yl-4H-imidazol-2-amine
CID 79510559
methyl 4-amino-7-(difluoromethoxy)-1-[4-(1-hydroxyethyl)phenyl]-2-oxoquinoline-3-carboxylate
CID 169207180
N-[4-(difluoromethoxy)phenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9084555

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-(difluoromethoxy)-1-(3-fluoro-2-methylphenyl)quinazolin-2-one?
The IUPAC name of 4-amino-7-(difluoromethoxy)-1-(3-fluoro-2-methylphenyl)quinazolin-2-one (CID 167528321) is 4-amino-7-(difluoromethoxy)-1-(3-fluoro-2-methylphenyl)quinazolin-2-one.
What is the SMILES notation for 4-amino-7-(difluoromethoxy)-1-(3-fluoro-2-methylphenyl)quinazolin-2-one?
The canonical SMILES for 4-amino-7-(difluoromethoxy)-1-(3-fluoro-2-methylphenyl)quinazolin-2-one is Cc1c(F)cccc1-n1c(=O)nc(N)c2ccc(OC(F)F)cc21.
What is the InChIKey of 4-amino-7-(difluoromethoxy)-1-(3-fluoro-2-methylphenyl)quinazolin-2-one?
The InChIKey is GLBVANQAZAUSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2/c1-8-11(17)3-2-4-12(8)22-13-7-9(24-15(18)19)5-6-10(13)14(20)21-16(22)23/h2-7,15H,1H3,(H2,20,21,23).
What are the key properties of 4-amino-7-(difluoromethoxy)-1-(3-fluoro-2-methylphenyl)quinazolin-2-one?
4-amino-7-(difluoromethoxy)-1-(3-fluoro-2-methylphenyl)quinazolin-2-one has a molecular weight of 335.29 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-(difluoromethoxy)-1-(3-fluoro-2-methylphenyl)quinazolin-2-one is sourced from PubChem (CID 167528321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).