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

C23H20Cl2FN7O — CID 144835206

IUPAC5-chloro-3-(3-chloro-5-methylphenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine
SMILESCCCc1nc2ccc(F)c(Cl)c2c(=O)n1-c1cc(C)cc(Cl)c1.Nc1ncnc2nc[nH]c12
InChIInChI=1S/C18H15Cl2FN2O.C5H5N5/c1-3-4-15-22-14-6-5-13(21)17(20)16(14)18(24)23(15)12-8-10(2)7-11(19)9-12;6-4-3-5(9-1-7-3)10-2-8-4/h5-9H,3-4H2,1-2H3;1-2H,(H3,6,7,8,9,10)
InChIKeyLSIXSSOMOFWYSN-UHFFFAOYSA-N
MW500.37 g/mol
LogP5.03
Rot. Bonds3

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

5-chloro-3-(3-chloro-5-methylphenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine (PubChem CID 144835206) has the molecular formula C23H20Cl2FN7O and a molecular weight of 500.37 g/mol. Its IUPAC name is 5-chloro-3-(3-chloro-5-methylphenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine.

Molecular Properties

Compound Name5-chloro-3-(3-chloro-5-methylphenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine
PubChem CID144835206
Molecular FormulaC23H20Cl2FN7O
Molecular Weight500.37 g/mol
Exact Mass499.11
IUPAC Name5-chloro-3-(3-chloro-5-methylphenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine
SMILESCCCc1nc2ccc(F)c(Cl)c2c(=O)n1-c1cc(C)cc(Cl)c1.Nc1ncnc2nc[nH]c12
InChIInChI=1S/C18H15Cl2FN2O.C5H5N5/c1-3-4-15-22-14-6-5-13(21)17(20)16(14)18(24)23(15)12-8-10(2)7-11(19)9-12;6-4-3-5(9-1-7-3)10-2-8-4/h5-9H,3-4H2,1-2H3;1-2H,(H3,6,7,8,9,10)
InChIKeyLSIXSSOMOFWYSN-UHFFFAOYSA-N
XLogP5.03
TPSA115.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.37
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

5-chloro-2-ethyl-6-fluoro-3-phenylquinazolin-4-one;7H-purin-6-amine
CID 144835105
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
6-fluoro-3-phenyl-2-propylquinazolin-4-one;7H-purin-6-amine
CID 144835033
8-chloro-2-(3,5-difluorophenyl)-3-ethyl-7-fluoroisoquinolin-1-one;7H-purin-6-amine
CID 144835466
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
3-(2,6-difluorophenyl)-2-ethyl-5-fluoroquinazolin-4-one;7H-purin-6-amine
CID 144835464
ethane;8-fluoro-2-phenyl-3-propylisoquinolin-1-one;7H-purin-6-amine
CID 144835192
3-ethyl-8-fluoro-2-phenylisoquinolin-1-one;7H-purin-6-amine
CID 144835055
5-chloro-3-(3,4-difluorophenyl)-6-fluoro-2-[(1R)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 118043866
5-chloro-6-fluoro-3-(4-fluorophenyl)-2-[(1R)-1-(7H-purin-6-ylamino)propyl]quinazolin-4-one
CID 118044121

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(3-chloro-5-methylphenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine?
The IUPAC name of 5-chloro-3-(3-chloro-5-methylphenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine (CID 144835206) is 5-chloro-3-(3-chloro-5-methylphenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine.
What is the SMILES notation for 5-chloro-3-(3-chloro-5-methylphenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine?
The canonical SMILES for 5-chloro-3-(3-chloro-5-methylphenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine is CCCc1nc2ccc(F)c(Cl)c2c(=O)n1-c1cc(C)cc(Cl)c1.Nc1ncnc2nc[nH]c12.
What is the InChIKey of 5-chloro-3-(3-chloro-5-methylphenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine?
The InChIKey is LSIXSSOMOFWYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2FN2O.C5H5N5/c1-3-4-15-22-14-6-5-13(21)17(20)16(14)18(24)23(15)12-8-10(2)7-11(19)9-12;6-4-3-5(9-1-7-3)10-2-8-4/h5-9H,3-4H2,1-2H3;1-2H,(H3,6,7,8,9,10).
What are the key properties of 5-chloro-3-(3-chloro-5-methylphenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine?
5-chloro-3-(3-chloro-5-methylphenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine has a molecular weight of 500.37 g/mol, XLogP of 5.03, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(3-chloro-5-methylphenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine is sourced from PubChem (CID 144835206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).