3-(3-chlorophenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine

C22H19ClFN7O — CID 144835156

IUPAC3-(3-chlorophenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine
SMILESCCCc1nc2ccc(F)cc2c(=O)n1-c1cccc(Cl)c1.Nc1ncnc2nc[nH]c12
InChIInChI=1S/C17H14ClFN2O.C5H5N5/c1-2-4-16-20-15-8-7-12(19)10-14(15)17(22)21(16)13-6-3-5-11(18)9-13;6-4-3-5(9-1-7-3)10-2-8-4/h3,5-10H,2,4H2,1H3;1-2H,(H3,6,7,8,9,10)
InChIKeyBKVUDQZWOFDUJA-UHFFFAOYSA-N
MW451.89 g/mol
LogP4.07
Rot. Bonds3

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

3-(3-chlorophenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine (PubChem CID 144835156) has the molecular formula C22H19ClFN7O and a molecular weight of 451.89 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine
PubChem CID144835156
Molecular FormulaC22H19ClFN7O
Molecular Weight451.89 g/mol
Exact Mass451.13
IUPAC Name3-(3-chlorophenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine
SMILESCCCc1nc2ccc(F)cc2c(=O)n1-c1cccc(Cl)c1.Nc1ncnc2nc[nH]c12
InChIInChI=1S/C17H14ClFN2O.C5H5N5/c1-2-4-16-20-15-8-7-12(19)10-14(15)17(22)21(16)13-6-3-5-11(18)9-13;6-4-3-5(9-1-7-3)10-2-8-4/h3,5-10H,2,4H2,1H3;1-2H,(H3,6,7,8,9,10)
InChIKeyBKVUDQZWOFDUJA-UHFFFAOYSA-N
XLogP4.07
TPSA115.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.89
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine?
The IUPAC name of 3-(3-chlorophenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine (CID 144835156) is 3-(3-chlorophenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine.
What is the SMILES notation for 3-(3-chlorophenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine?
The canonical SMILES for 3-(3-chlorophenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine is CCCc1nc2ccc(F)cc2c(=O)n1-c1cccc(Cl)c1.Nc1ncnc2nc[nH]c12.
What is the InChIKey of 3-(3-chlorophenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine?
The InChIKey is BKVUDQZWOFDUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O.C5H5N5/c1-2-4-16-20-15-8-7-12(19)10-14(15)17(22)21(16)13-6-3-5-11(18)9-13;6-4-3-5(9-1-7-3)10-2-8-4/h3,5-10H,2,4H2,1H3;1-2H,(H3,6,7,8,9,10).
What are the key properties of 3-(3-chlorophenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine?
3-(3-chlorophenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine has a molecular weight of 451.89 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine is sourced from PubChem (CID 144835156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).