6-fluoro-3-phenyl-2-propylquinazolin-4-one;7H-purin-6-amine

C22H20FN7O — CID 144835033

IUPAC6-fluoro-3-phenyl-2-propylquinazolin-4-one;7H-purin-6-amine
SMILESCCCc1nc2ccc(F)cc2c(=O)n1-c1ccccc1.Nc1ncnc2nc[nH]c12
InChIInChI=1S/C17H15FN2O.C5H5N5/c1-2-6-16-19-15-10-9-12(18)11-14(15)17(21)20(16)13-7-4-3-5-8-13;6-4-3-5(9-1-7-3)10-2-8-4/h3-5,7-11H,2,6H2,1H3;1-2H,(H3,6,7,8,9,10)
InChIKeyBVTOUPSLOQICGQ-UHFFFAOYSA-N
MW417.45 g/mol
LogP3.41
Rot. Bonds3

About 6-fluoro-3-phenyl-2-propylquinazolin-4-one;7H-purin-6-amine

6-fluoro-3-phenyl-2-propylquinazolin-4-one;7H-purin-6-amine (PubChem CID 144835033) has the molecular formula C22H20FN7O and a molecular weight of 417.45 g/mol. Its IUPAC name is 6-fluoro-3-phenyl-2-propylquinazolin-4-one;7H-purin-6-amine.

Molecular Properties

Compound Name6-fluoro-3-phenyl-2-propylquinazolin-4-one;7H-purin-6-amine
PubChem CID144835033
Molecular FormulaC22H20FN7O
Molecular Weight417.45 g/mol
Exact Mass417.17
IUPAC Name6-fluoro-3-phenyl-2-propylquinazolin-4-one;7H-purin-6-amine
SMILESCCCc1nc2ccc(F)cc2c(=O)n1-c1ccccc1.Nc1ncnc2nc[nH]c12
InChIInChI=1S/C17H15FN2O.C5H5N5/c1-2-6-16-19-15-10-9-12(18)11-14(15)17(21)20(16)13-7-4-3-5-8-13;6-4-3-5(9-1-7-3)10-2-8-4/h3-5,7-11H,2,6H2,1H3;1-2H,(H3,6,7,8,9,10)
InChIKeyBVTOUPSLOQICGQ-UHFFFAOYSA-N
XLogP3.41
TPSA115.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.45
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3,5-difluorophenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine
CID 144835371
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
5-chloro-2-ethyl-6-fluoro-3-phenylquinazolin-4-one;7H-purin-6-amine
CID 144835105
5-chloro-3-(3-chloro-5-methylphenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine
CID 144835206
3-ethyl-8-fluoro-2-phenylisoquinolin-1-one;7H-purin-6-amine
CID 144835055
3-(2,3-difluorophenyl)-5-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine
CID 144835287
8-chloro-2-(3,5-difluorophenyl)-3-propylisoquinolin-1-one;7H-purin-6-amine
CID 144835114
6-fluoro-2-[C-methyl-N-(7H-purin-6-yl)carbonimidoyl]-3-phenylquinazolin-4-one
CID 166475293
6-fluoro-3-phenyl-2-[(1R)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 118043854
3-ethyl-2-phenyl-8-(trifluoromethyl)isoquinolin-1-one;7H-purin-6-amine
CID 144514682
N-hydroxy-6-[[(4-oxo-3-phenyl-2-propylquinazolin-5-yl)amino]methyl]pyridine-3-carboxamide;7H-purin-6-amine
CID 142506201

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-phenyl-2-propylquinazolin-4-one;7H-purin-6-amine?
The IUPAC name of 6-fluoro-3-phenyl-2-propylquinazolin-4-one;7H-purin-6-amine (CID 144835033) is 6-fluoro-3-phenyl-2-propylquinazolin-4-one;7H-purin-6-amine.
What is the SMILES notation for 6-fluoro-3-phenyl-2-propylquinazolin-4-one;7H-purin-6-amine?
The canonical SMILES for 6-fluoro-3-phenyl-2-propylquinazolin-4-one;7H-purin-6-amine is CCCc1nc2ccc(F)cc2c(=O)n1-c1ccccc1.Nc1ncnc2nc[nH]c12.
What is the InChIKey of 6-fluoro-3-phenyl-2-propylquinazolin-4-one;7H-purin-6-amine?
The InChIKey is BVTOUPSLOQICGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O.C5H5N5/c1-2-6-16-19-15-10-9-12(18)11-14(15)17(21)20(16)13-7-4-3-5-8-13;6-4-3-5(9-1-7-3)10-2-8-4/h3-5,7-11H,2,6H2,1H3;1-2H,(H3,6,7,8,9,10).
What are the key properties of 6-fluoro-3-phenyl-2-propylquinazolin-4-one;7H-purin-6-amine?
6-fluoro-3-phenyl-2-propylquinazolin-4-one;7H-purin-6-amine has a molecular weight of 417.45 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-phenyl-2-propylquinazolin-4-one;7H-purin-6-amine is sourced from PubChem (CID 144835033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).