5-chloro-2-ethyl-6-fluoro-3-phenylquinazolin-4-one;7H-purin-6-amine

C21H17ClFN7O — CID 144835105

IUPAC5-chloro-2-ethyl-6-fluoro-3-phenylquinazolin-4-one;7H-purin-6-amine
SMILESCCc1nc2ccc(F)c(Cl)c2c(=O)n1-c1ccccc1.Nc1ncnc2nc[nH]c12
InChIInChI=1S/C16H12ClFN2O.C5H5N5/c1-2-13-19-12-9-8-11(18)15(17)14(12)16(21)20(13)10-6-4-3-5-7-10;6-4-3-5(9-1-7-3)10-2-8-4/h3-9H,2H2,1H3;1-2H,(H3,6,7,8,9,10)
InChIKeyBJRQKYXZLBDTTA-UHFFFAOYSA-N
MW437.87 g/mol
LogP3.68
Rot. Bonds2

About 5-chloro-2-ethyl-6-fluoro-3-phenylquinazolin-4-one;7H-purin-6-amine

5-chloro-2-ethyl-6-fluoro-3-phenylquinazolin-4-one;7H-purin-6-amine (PubChem CID 144835105) has the molecular formula C21H17ClFN7O and a molecular weight of 437.87 g/mol. Its IUPAC name is 5-chloro-2-ethyl-6-fluoro-3-phenylquinazolin-4-one;7H-purin-6-amine.

Molecular Properties

Compound Name5-chloro-2-ethyl-6-fluoro-3-phenylquinazolin-4-one;7H-purin-6-amine
PubChem CID144835105
Molecular FormulaC21H17ClFN7O
Molecular Weight437.87 g/mol
Exact Mass437.12
IUPAC Name5-chloro-2-ethyl-6-fluoro-3-phenylquinazolin-4-one;7H-purin-6-amine
SMILESCCc1nc2ccc(F)c(Cl)c2c(=O)n1-c1ccccc1.Nc1ncnc2nc[nH]c12
InChIInChI=1S/C16H12ClFN2O.C5H5N5/c1-2-13-19-12-9-8-11(18)15(17)14(12)16(21)20(13)10-6-4-3-5-7-10;6-4-3-5(9-1-7-3)10-2-8-4/h3-9H,2H2,1H3;1-2H,(H3,6,7,8,9,10)
InChIKeyBJRQKYXZLBDTTA-UHFFFAOYSA-N
XLogP3.68
TPSA115.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.87
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-chloro-2-ethyl-6-fluoro-3-phenylquinazolin-4-one;7H-purin-6-amine with MolForge

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Related Compounds

5-chloro-3-(3-chloro-5-methylphenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine
CID 144835206
3-(2,6-difluorophenyl)-2-ethyl-5-fluoroquinazolin-4-one;7H-purin-6-amine
CID 144835464
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-ethyl-8-fluoro-2-phenylisoquinolin-1-one;7H-purin-6-amine
CID 144835055
5-chloro-6-fluoro-3-phenyl-2-[1-(7H-purin-6-ylamino)propyl]quinazolin-4-one
CID 118044172
3-(3-chlorophenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine
CID 144835156
5-chloro-6-fluoro-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-4-one
CID 118044338
ethane;8-fluoro-2-phenyl-3-propylisoquinolin-1-one;7H-purin-6-amine
CID 144835192
3-ethyl-2-phenyl-8-(trifluoromethyl)isoquinolin-1-one;7H-purin-6-amine
CID 144514682
3-(3,5-difluorophenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine
CID 144835371
3-(2,3-difluorophenyl)-5-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine
CID 144835287

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethyl-6-fluoro-3-phenylquinazolin-4-one;7H-purin-6-amine?
The IUPAC name of 5-chloro-2-ethyl-6-fluoro-3-phenylquinazolin-4-one;7H-purin-6-amine (CID 144835105) is 5-chloro-2-ethyl-6-fluoro-3-phenylquinazolin-4-one;7H-purin-6-amine.
What is the SMILES notation for 5-chloro-2-ethyl-6-fluoro-3-phenylquinazolin-4-one;7H-purin-6-amine?
The canonical SMILES for 5-chloro-2-ethyl-6-fluoro-3-phenylquinazolin-4-one;7H-purin-6-amine is CCc1nc2ccc(F)c(Cl)c2c(=O)n1-c1ccccc1.Nc1ncnc2nc[nH]c12.
What is the InChIKey of 5-chloro-2-ethyl-6-fluoro-3-phenylquinazolin-4-one;7H-purin-6-amine?
The InChIKey is BJRQKYXZLBDTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O.C5H5N5/c1-2-13-19-12-9-8-11(18)15(17)14(12)16(21)20(13)10-6-4-3-5-7-10;6-4-3-5(9-1-7-3)10-2-8-4/h3-9H,2H2,1H3;1-2H,(H3,6,7,8,9,10).
What are the key properties of 5-chloro-2-ethyl-6-fluoro-3-phenylquinazolin-4-one;7H-purin-6-amine?
5-chloro-2-ethyl-6-fluoro-3-phenylquinazolin-4-one;7H-purin-6-amine has a molecular weight of 437.87 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethyl-6-fluoro-3-phenylquinazolin-4-one;7H-purin-6-amine is sourced from PubChem (CID 144835105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).