2-(5-ethylthiophen-2-yl)-6-fluoro-3-[(4-fluorophenyl)methyl]-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-7-fluoro-3-[(4-fluorophenyl)methyl]-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-3-[(4-fluorophenyl)methyl]-5-methyl-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-3-[(4-fluorophenyl)methyl]-6-methyl-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-3-[(4-fluorophenyl)methyl]-7-methyl-1,2-dihydroquinazolin-4-one

C108H99F7N10O5S5 — CID 157301918

IUPAC2-(5-ethylthiophen-2-yl)-6-fluoro-3-[(4-fluorophenyl)methyl]-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-7-fluoro-3-[(4-fluorophenyl)methyl]-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-3-[(4-fluorophenyl)methyl]-5-methyl-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-3-[(4-fluorophenyl)methyl]-6-methyl-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-3-[(4-fluorophenyl)methyl]-7-methyl-1,2-dihydroquinazolin-4-one
SMILESCCc1ccc(C2Nc3cc(C)ccc3C(=O)N2Cc2ccc(F)cc2)s1.CCc1ccc(C2Nc3cc(F)ccc3C(=O)N2Cc2ccc(F)cc2)s1.CCc1ccc(C2Nc3ccc(C)cc3C(=O)N2Cc2ccc(F)cc2)s1.CCc1ccc(C2Nc3ccc(F)cc3C(=O)N2Cc2ccc(F)cc2)s1.CCc1ccc(C2Nc3cccc(C)c3C(=O)N2Cc2ccc(F)cc2)s1
InChIInChI=1S/3C22H21FN2OS.2C21H18F2N2OS/c1-3-17-9-11-20(27-17)21-24-19-10-4-14(2)12-18(19)22(26)25(21)13-15-5-7-16(23)8-6-15;1-3-17-9-11-20(27-17)21-24-19-12-14(2)4-10-18(19)22(26)25(21)13-15-5-7-16(23)8-6-15;1-3-17-11-12-19(27-17)21-24-18-6-4-5-14(2)20(18)22(26)25(21)13-15-7-9-16(23)10-8-15;1-2-16-8-10-19(27-16)20-24-18-9-7-15(23)11-17(18)21(26)25(20)12-13-3-5-14(22)6-4-13;1-2-16-8-10-19(27-16)20-24-18-11-15(23)7-9-17(18)21(26)25(20)12-13-3-5-14(22)6-4-13/h3*4-12,21,24H,3,13H2,1-2H3;2*3-11,20,24H,2,12H2,1H3
InChIKeyBBZSBVMYBYHFLI-UHFFFAOYSA-N
MW1910.37 g/mol
LogP27.28
Rot. Bonds20

About 2-(5-ethylthiophen-2-yl)-6-fluoro-3-[(4-fluorophenyl)methyl]-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-7-fluoro-3-[(4-fluorophenyl)methyl]-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-3-[(4-fluorophenyl)methyl]-5-methyl-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-3-[(4-fluorophenyl)methyl]-6-methyl-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-3-[(4-fluorophenyl)methyl]-7-methyl-1,2-dihydroquinazolin-4-one

2-(5-ethylthiophen-2-yl)-6-fluoro-3-[(4-fluorophenyl)methyl]-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-7-fluoro-3-[(4-fluorophenyl)methyl]-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-3-[(4-fluorophenyl)methyl]-5-methyl-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-3-[(4-fluorophenyl)methyl]-6-methyl-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-3-[(4-fluorophenyl)methyl]-7-methyl-1,2-dihydroquinazolin-4-one (PubChem CID 157301918) has the molecular formula C108H99F7N10O5S5 and a molecular weight of 1910.37 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-6-fluoro-3-[(4-fluorophenyl)methyl]-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-7-fluoro-3-[(4-fluorophenyl)methyl]-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-3-[(4-fluorophenyl)methyl]-5-methyl-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-3-[(4-fluorophenyl)methyl]-6-methyl-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-3-[(4-fluorophenyl)methyl]-7-methyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-6-fluoro-3-[(4-fluorophenyl)methyl]-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-7-fluoro-3-[(4-fluorophenyl)methyl]-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-3-[(4-fluorophenyl)methyl]-5-methyl-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-3-[(4-fluorophenyl)methyl]-6-methyl-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-3-[(4-fluorophenyl)methyl]-7-methyl-1,2-dihydroquinazolin-4-one
PubChem CID157301918
Molecular FormulaC108H99F7N10O5S5
Molecular Weight1910.37 g/mol
Exact Mass1908.63
IUPAC Name2-(5-ethylthiophen-2-yl)-6-fluoro-3-[(4-fluorophenyl)methyl]-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-7-fluoro-3-[(4-fluorophenyl)methyl]-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-3-[(4-fluorophenyl)methyl]-5-methyl-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-3-[(4-fluorophenyl)methyl]-6-methyl-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-3-[(4-fluorophenyl)methyl]-7-methyl-1,2-dihydroquinazolin-4-one
SMILESCCc1ccc(C2Nc3cc(C)ccc3C(=O)N2Cc2ccc(F)cc2)s1.CCc1ccc(C2Nc3cc(F)ccc3C(=O)N2Cc2ccc(F)cc2)s1.CCc1ccc(C2Nc3ccc(C)cc3C(=O)N2Cc2ccc(F)cc2)s1.CCc1ccc(C2Nc3ccc(F)cc3C(=O)N2Cc2ccc(F)cc2)s1.CCc1ccc(C2Nc3cccc(C)c3C(=O)N2Cc2ccc(F)cc2)s1
InChIInChI=1S/3C22H21FN2OS.2C21H18F2N2OS/c1-3-17-9-11-20(27-17)21-24-19-10-4-14(2)12-18(19)22(26)25(21)13-15-5-7-16(23)8-6-15;1-3-17-9-11-20(27-17)21-24-19-12-14(2)4-10-18(19)22(26)25(21)13-15-5-7-16(23)8-6-15;1-3-17-11-12-19(27-17)21-24-18-6-4-5-14(2)20(18)22(26)25(21)13-15-7-9-16(23)10-8-15;1-2-16-8-10-19(27-16)20-24-18-9-7-15(23)11-17(18)21(26)25(20)12-13-3-5-14(22)6-4-13;1-2-16-8-10-19(27-16)20-24-18-11-15(23)7-9-17(18)21(26)25(20)12-13-3-5-14(22)6-4-13/h3*4-12,21,24H,3,13H2,1-2H3;2*3-11,20,24H,2,12H2,1H3
InChIKeyBBZSBVMYBYHFLI-UHFFFAOYSA-N
XLogP27.28
TPSA161.70 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds20
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001910.37
LogP ≤ 527.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze 2-(5-ethylthiophen-2-yl)-6-fluoro-3-[(4-fluorophenyl)methyl]-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-7-fluoro-3-[(4-fluorophenyl)methyl]-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-3-[(4-fluorophenyl)methyl]-5-methyl-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-3-[(4-fluorophenyl)methyl]-6-methyl-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-3-[(4-fluorophenyl)methyl]-7-methyl-1,2-dihydroquinazolin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-6-fluoro-3-[(4-fluorophenyl)methyl]-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-7-fluoro-3-[(4-fluorophenyl)methyl]-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-3-[(4-fluorophenyl)methyl]-5-methyl-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-3-[(4-fluorophenyl)methyl]-6-methyl-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-3-[(4-fluorophenyl)methyl]-7-methyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-6-fluoro-3-[(4-fluorophenyl)methyl]-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-7-fluoro-3-[(4-fluorophenyl)methyl]-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-3-[(4-fluorophenyl)methyl]-5-methyl-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-3-[(4-fluorophenyl)methyl]-6-methyl-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-3-[(4-fluorophenyl)methyl]-7-methyl-1,2-dihydroquinazolin-4-one (CID 157301918) is 2-(5-ethylthiophen-2-yl)-6-fluoro-3-[(4-fluorophenyl)methyl]-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-7-fluoro-3-[(4-fluorophenyl)methyl]-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-3-[(4-fluorophenyl)methyl]-5-methyl-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-3-[(4-fluorophenyl)methyl]-6-methyl-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-3-[(4-fluorophenyl)methyl]-7-methyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-6-fluoro-3-[(4-fluorophenyl)methyl]-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-7-fluoro-3-[(4-fluorophenyl)methyl]-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-3-[(4-fluorophenyl)methyl]-5-methyl-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-3-[(4-fluorophenyl)methyl]-6-methyl-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-3-[(4-fluorophenyl)methyl]-7-methyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-6-fluoro-3-[(4-fluorophenyl)methyl]-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-7-fluoro-3-[(4-fluorophenyl)methyl]-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-3-[(4-fluorophenyl)methyl]-5-methyl-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-3-[(4-fluorophenyl)methyl]-6-methyl-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-3-[(4-fluorophenyl)methyl]-7-methyl-1,2-dihydroquinazolin-4-one is CCc1ccc(C2Nc3cc(C)ccc3C(=O)N2Cc2ccc(F)cc2)s1.CCc1ccc(C2Nc3cc(F)ccc3C(=O)N2Cc2ccc(F)cc2)s1.CCc1ccc(C2Nc3ccc(C)cc3C(=O)N2Cc2ccc(F)cc2)s1.CCc1ccc(C2Nc3ccc(F)cc3C(=O)N2Cc2ccc(F)cc2)s1.CCc1ccc(C2Nc3cccc(C)c3C(=O)N2Cc2ccc(F)cc2)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-6-fluoro-3-[(4-fluorophenyl)methyl]-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-7-fluoro-3-[(4-fluorophenyl)methyl]-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-3-[(4-fluorophenyl)methyl]-5-methyl-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-3-[(4-fluorophenyl)methyl]-6-methyl-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-3-[(4-fluorophenyl)methyl]-7-methyl-1,2-dihydroquinazolin-4-one?
The InChIKey is BBZSBVMYBYHFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C22H21FN2OS.2C21H18F2N2OS/c1-3-17-9-11-20(27-17)21-24-19-10-4-14(2)12-18(19)22(26)25(21)13-15-5-7-16(23)8-6-15;1-3-17-9-11-20(27-17)21-24-19-12-14(2)4-10-18(19)22(26)25(21)13-15-5-7-16(23)8-6-15;1-3-17-11-12-19(27-17)21-24-18-6-4-5-14(2)20(18)22(26)25(21)13-15-7-9-16(23)10-8-15;1-2-16-8-10-19(27-16)20-24-18-9-7-15(23)11-17(18)21(26)25(20)12-13-3-5-14(22)6-4-13;1-2-16-8-10-19(27-16)20-24-18-11-15(23)7-9-17(18)21(26)25(20)12-13-3-5-14(22)6-4-13/h3*4-12,21,24H,3,13H2,1-2H3;2*3-11,20,24H,2,12H2,1H3.
What are the key properties of 2-(5-ethylthiophen-2-yl)-6-fluoro-3-[(4-fluorophenyl)methyl]-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-7-fluoro-3-[(4-fluorophenyl)methyl]-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-3-[(4-fluorophenyl)methyl]-5-methyl-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-3-[(4-fluorophenyl)methyl]-6-methyl-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-3-[(4-fluorophenyl)methyl]-7-methyl-1,2-dihydroquinazolin-4-one?
2-(5-ethylthiophen-2-yl)-6-fluoro-3-[(4-fluorophenyl)methyl]-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-7-fluoro-3-[(4-fluorophenyl)methyl]-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-3-[(4-fluorophenyl)methyl]-5-methyl-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-3-[(4-fluorophenyl)methyl]-6-methyl-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-3-[(4-fluorophenyl)methyl]-7-methyl-1,2-dihydroquinazolin-4-one has a molecular weight of 1910.37 g/mol, XLogP of 27.28, 20 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-6-fluoro-3-[(4-fluorophenyl)methyl]-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-7-fluoro-3-[(4-fluorophenyl)methyl]-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-3-[(4-fluorophenyl)methyl]-5-methyl-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-3-[(4-fluorophenyl)methyl]-6-methyl-1,2-dihydroquinazolin-4-one;2-(5-ethylthiophen-2-yl)-3-[(4-fluorophenyl)methyl]-7-methyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 157301918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).