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

C22H18F3N7O — CID 144835287

IUPAC3-(2,3-difluorophenyl)-5-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine
SMILESCCCc1nc2cccc(F)c2c(=O)n1-c1cccc(F)c1F.Nc1ncnc2nc[nH]c12
InChIInChI=1S/C17H13F3N2O.C5H5N5/c1-2-5-14-21-12-8-3-6-10(18)15(12)17(23)22(14)13-9-4-7-11(19)16(13)20;6-4-3-5(9-1-7-3)10-2-8-4/h3-4,6-9H,2,5H2,1H3;1-2H,(H3,6,7,8,9,10)
InChIKeyQYJQWELXTXAKLR-UHFFFAOYSA-N
MW453.43 g/mol
LogP3.69
Rot. Bonds3

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

3-(2,3-difluorophenyl)-5-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine (PubChem CID 144835287) has the molecular formula C22H18F3N7O and a molecular weight of 453.43 g/mol. Its IUPAC name is 3-(2,3-difluorophenyl)-5-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine.

Molecular Properties

Compound Name3-(2,3-difluorophenyl)-5-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine
PubChem CID144835287
Molecular FormulaC22H18F3N7O
Molecular Weight453.43 g/mol
Exact Mass453.15
IUPAC Name3-(2,3-difluorophenyl)-5-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine
SMILESCCCc1nc2cccc(F)c2c(=O)n1-c1cccc(F)c1F.Nc1ncnc2nc[nH]c12
InChIInChI=1S/C17H13F3N2O.C5H5N5/c1-2-5-14-21-12-8-3-6-10(18)15(12)17(23)22(14)13-9-4-7-11(19)16(13)20;6-4-3-5(9-1-7-3)10-2-8-4/h3-4,6-9H,2,5H2,1H3;1-2H,(H3,6,7,8,9,10)
InChIKeyQYJQWELXTXAKLR-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-(2,3-difluorophenyl)-5-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine 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

3-(2,6-difluorophenyl)-2-ethyl-5-fluoroquinazolin-4-one;7H-purin-6-amine
CID 144835464
2-(2,3-difluorophenyl)-3-ethyl-8-fluoroisoquinolin-1-one;7H-purin-6-amine
CID 144835127
3-(3-chlorophenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine
CID 144835156
ethane;8-fluoro-2-phenyl-3-propylisoquinolin-1-one;7H-purin-6-amine
CID 144835192
6-fluoro-3-phenyl-2-propylquinazolin-4-one;7H-purin-6-amine
CID 144835033
5-chloro-3-(3-chloro-5-methylphenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine
CID 144835206
3-(3,5-difluorophenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine
CID 144835371
3-ethyl-8-fluoro-2-phenylisoquinolin-1-one;7H-purin-6-amine
CID 144835055
5-chloro-2-ethyl-6-fluoro-3-phenylquinazolin-4-one;7H-purin-6-amine
CID 144835105
3-(2,6-difluorophenyl)-5-fluoro-2-propylquinazolin-4-one
CID 144835217
8-chloro-2-(3,5-difluorophenyl)-3-propylisoquinolin-1-one;7H-purin-6-amine
CID 144835114
3-(2-fluorophenyl)-5-methyl-2-[2-(7H-purin-6-yl)-2-sulfanylethyl]quinazolin-4-one
CID 87241996

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluorophenyl)-5-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine?
The IUPAC name of 3-(2,3-difluorophenyl)-5-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine (CID 144835287) is 3-(2,3-difluorophenyl)-5-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine.
What is the SMILES notation for 3-(2,3-difluorophenyl)-5-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine?
The canonical SMILES for 3-(2,3-difluorophenyl)-5-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine is CCCc1nc2cccc(F)c2c(=O)n1-c1cccc(F)c1F.Nc1ncnc2nc[nH]c12.
What is the InChIKey of 3-(2,3-difluorophenyl)-5-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine?
The InChIKey is QYJQWELXTXAKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O.C5H5N5/c1-2-5-14-21-12-8-3-6-10(18)15(12)17(23)22(14)13-9-4-7-11(19)16(13)20;6-4-3-5(9-1-7-3)10-2-8-4/h3-4,6-9H,2,5H2,1H3;1-2H,(H3,6,7,8,9,10).
What are the key properties of 3-(2,3-difluorophenyl)-5-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine?
3-(2,3-difluorophenyl)-5-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-(2,3-difluorophenyl)-5-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine is sourced from PubChem (CID 144835287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).