3-(3,5-difluorophenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine

C22H18F3N7O — CID 144835371

IUPAC3-(3,5-difluorophenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine
SMILESCCCc1nc2ccc(F)cc2c(=O)n1-c1cc(F)cc(F)c1.Nc1ncnc2nc[nH]c12
InChIInChI=1S/C17H13F3N2O.C5H5N5/c1-2-3-16-21-15-5-4-10(18)9-14(15)17(23)22(16)13-7-11(19)6-12(20)8-13;6-4-3-5(9-1-7-3)10-2-8-4/h4-9H,2-3H2,1H3;1-2H,(H3,6,7,8,9,10)
InChIKeyZPYGATSCLFFTIA-UHFFFAOYSA-N
MW453.43 g/mol
LogP3.69
Rot. Bonds3

About 3-(3,5-difluorophenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine

3-(3,5-difluorophenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine (PubChem CID 144835371) has the molecular formula C22H18F3N7O and a molecular weight of 453.43 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine
PubChem CID144835371
Molecular FormulaC22H18F3N7O
Molecular Weight453.43 g/mol
Exact Mass453.15
IUPAC Name3-(3,5-difluorophenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine
SMILESCCCc1nc2ccc(F)cc2c(=O)n1-c1cc(F)cc(F)c1.Nc1ncnc2nc[nH]c12
InChIInChI=1S/C17H13F3N2O.C5H5N5/c1-2-3-16-21-15-5-4-10(18)9-14(15)17(23)22(16)13-7-11(19)6-12(20)8-13;6-4-3-5(9-1-7-3)10-2-8-4/h4-9H,2-3H2,1H3;1-2H,(H3,6,7,8,9,10)
InChIKeyZPYGATSCLFFTIA-UHFFFAOYSA-N
XLogP3.69
TPSA115.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.43
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(3,5-difluorophenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine with MolForge

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Related Compounds

6-fluoro-3-phenyl-2-propylquinazolin-4-one;7H-purin-6-amine
CID 144835033
3-(3-chlorophenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine
CID 144835156
5-chloro-3-(3-chloro-5-methylphenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine
CID 144835206
8-chloro-2-(3,5-difluorophenyl)-3-propylisoquinolin-1-one;7H-purin-6-amine
CID 144835114
8-chloro-2-(3,5-difluorophenyl)-3-ethyl-7-fluoroisoquinolin-1-one;7H-purin-6-amine
CID 144835466
ethane;8-fluoro-2-phenyl-3-propylisoquinolin-1-one;7H-purin-6-amine
CID 144835192
3-(2,3-difluorophenyl)-5-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine
CID 144835287
3-(3,5-difluorophenyl)-6-fluoro-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 118044120
5-chloro-2-ethyl-6-fluoro-3-phenylquinazolin-4-one;7H-purin-6-amine
CID 144835105
3-ethyl-8-fluoro-2-phenylisoquinolin-1-one;7H-purin-6-amine
CID 144835055
2-(3,5-difluorophenyl)-7-fluoro-3-[(1R)-1-(7H-purin-6-ylamino)propyl]isoquinolin-1-one
CID 118043775
3-(2,6-difluorophenyl)-2-ethyl-5-fluoroquinazolin-4-one;7H-purin-6-amine
CID 144835464

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine?
The IUPAC name of 3-(3,5-difluorophenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine (CID 144835371) is 3-(3,5-difluorophenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine.
What is the SMILES notation for 3-(3,5-difluorophenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine?
The canonical SMILES for 3-(3,5-difluorophenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine is CCCc1nc2ccc(F)cc2c(=O)n1-c1cc(F)cc(F)c1.Nc1ncnc2nc[nH]c12.
What is the InChIKey of 3-(3,5-difluorophenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine?
The InChIKey is ZPYGATSCLFFTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O.C5H5N5/c1-2-3-16-21-15-5-4-10(18)9-14(15)17(23)22(16)13-7-11(19)6-12(20)8-13;6-4-3-5(9-1-7-3)10-2-8-4/h4-9H,2-3H2,1H3;1-2H,(H3,6,7,8,9,10).
What are the key properties of 3-(3,5-difluorophenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine?
3-(3,5-difluorophenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine has a molecular weight of 453.43 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine is sourced from PubChem (CID 144835371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).