2-amino-4-[4-(ethylamino)-8-fluoro-2-methoxy-6-(trifluoromethyl)quinazolin-7-yl]-7-fluoro-1-benzothiophene-3-carbonitrile;(2-fluorocyclopropyl)-pyrrolidin-1-ylmethanone;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine

C36H38F7N7O2S — CID 170767212

About 2-amino-4-[4-(ethylamino)-8-fluoro-2-methoxy-6-(trifluoromethyl)quinazolin-7-yl]-7-fluoro-1-benzothiophene-3-carbonitrile;(2-fluorocyclopropyl)-pyrrolidin-1-ylmethanone;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine

2-amino-4-[4-(ethylamino)-8-fluoro-2-methoxy-6-(trifluoromethyl)quinazolin-7-yl]-7-fluoro-1-benzothiophene-3-carbonitrile;(2-fluorocyclopropyl)-pyrrolidin-1-ylmethanone;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine (PubChem CID 170767212) has the molecular formula C36H38F7N7O2S and a molecular weight of 765.80 g/mol. Its IUPAC name is 2-amino-4-[4-(ethylamino)-8-fluoro-2-methoxy-6-(trifluoromethyl)quinazolin-7-yl]-7-fluoro-1-benzothiophene-3-carbonitrile;(2-fluorocyclopropyl)-pyrrolidin-1-ylmethanone;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.

Molecular Properties

• Compound Name: 2-amino-4-[4-(ethylamino)-8-fluoro-2-methoxy-6-(trifluoromethyl)quinazolin-7-yl]-7-fluoro-1-benzothiophene-3-carbonitrile;(2-fluorocyclopropyl)-pyrrolidin-1-ylmethanone;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
• PubChem CID: 170767212
• Molecular Formula: C36H38F7N7O2S
• Molecular Weight: 765.80 g/mol
• Exact Mass: 765.27
• IUPAC Name: 2-amino-4-[4-(ethylamino)-8-fluoro-2-methoxy-6-(trifluoromethyl)quinazolin-7-yl]-7-fluoro-1-benzothiophene-3-carbonitrile;(2-fluorocyclopropyl)-pyrrolidin-1-ylmethanone;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
• SMILES: CCNc1nc(OC)nc2c(F)c(-c3ccc(F)c4sc(N)c(C#N)c34)c(C(F)(F)F)cc12.FC1CC2CCCN2C1.O=C(C1CC1F)N1CCCC1
• InChI: InChI=1S/C21H14F5N5OS.C8H12FNO.C7H12FN/c1-3-29-19-9-6-11(21(24,25)26)14(15(23)16(9)30-20(31-19)32-2)8-4-5-12(22)17-13(8)10(7-27)18(28)33-17;9-7-5-6(7)8(11)10-3-1-2-4-10;8-6-4-7-2-1-3-9(7)5-6/h4-6H,3,28H2,1-2H3,(H,29,30,31);6-7H,1-5H2;6-7H,1-5H2
• InChIKey: ZRRPKFBEJFRHDU-UHFFFAOYSA-N
• XLogP: 7.86
• TPSA: 120.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	765.80
LogP ≤ 5	7.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-(ethylamino)-8-fluoro-2-methoxy-6-(trifluoromethyl)quinazolin-7-yl]-7-fluoro-1-benzothiophene-3-carbonitrile;(2-fluorocyclopropyl)-pyrrolidin-1-ylmethanone;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?

The IUPAC name of 2-amino-4-[4-(ethylamino)-8-fluoro-2-methoxy-6-(trifluoromethyl)quinazolin-7-yl]-7-fluoro-1-benzothiophene-3-carbonitrile;(2-fluorocyclopropyl)-pyrrolidin-1-ylmethanone;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine (CID 170767212) is 2-amino-4-[4-(ethylamino)-8-fluoro-2-methoxy-6-(trifluoromethyl)quinazolin-7-yl]-7-fluoro-1-benzothiophene-3-carbonitrile;(2-fluorocyclopropyl)-pyrrolidin-1-ylmethanone;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.

What is the SMILES notation for 2-amino-4-[4-(ethylamino)-8-fluoro-2-methoxy-6-(trifluoromethyl)quinazolin-7-yl]-7-fluoro-1-benzothiophene-3-carbonitrile;(2-fluorocyclopropyl)-pyrrolidin-1-ylmethanone;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?

The canonical SMILES for 2-amino-4-[4-(ethylamino)-8-fluoro-2-methoxy-6-(trifluoromethyl)quinazolin-7-yl]-7-fluoro-1-benzothiophene-3-carbonitrile;(2-fluorocyclopropyl)-pyrrolidin-1-ylmethanone;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine is CCNc1nc(OC)nc2c(F)c(-c3ccc(F)c4sc(N)c(C#N)c34)c(C(F)(F)F)cc12.FC1CC2CCCN2C1.O=C(C1CC1F)N1CCCC1.

What is the InChIKey of 2-amino-4-[4-(ethylamino)-8-fluoro-2-methoxy-6-(trifluoromethyl)quinazolin-7-yl]-7-fluoro-1-benzothiophene-3-carbonitrile;(2-fluorocyclopropyl)-pyrrolidin-1-ylmethanone;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?

The InChIKey is ZRRPKFBEJFRHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F5N5OS.C8H12FNO.C7H12FN/c1-3-29-19-9-6-11(21(24,25)26)14(15(23)16(9)30-20(31-19)32-2)8-4-5-12(22)17-13(8)10(7-27)18(28)33-17;9-7-5-6(7)8(11)10-3-1-2-4-10;8-6-4-7-2-1-3-9(7)5-6/h4-6H,3,28H2,1-2H3,(H,29,30,31);6-7H,1-5H2;6-7H,1-5H2.

What are the key properties of 2-amino-4-[4-(ethylamino)-8-fluoro-2-methoxy-6-(trifluoromethyl)quinazolin-7-yl]-7-fluoro-1-benzothiophene-3-carbonitrile;(2-fluorocyclopropyl)-pyrrolidin-1-ylmethanone;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?

2-amino-4-[4-(ethylamino)-8-fluoro-2-methoxy-6-(trifluoromethyl)quinazolin-7-yl]-7-fluoro-1-benzothiophene-3-carbonitrile;(2-fluorocyclopropyl)-pyrrolidin-1-ylmethanone;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine has a molecular weight of 765.80 g/mol, XLogP of 7.86, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-4-[4-(ethylamino)-8-fluoro-2-methoxy-6-(trifluoromethyl)quinazolin-7-yl]-7-fluoro-1-benzothiophene-3-carbonitrile;(2-fluorocyclopropyl)-pyrrolidin-1-ylmethanone;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine is sourced from PubChem (CID 170767212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).