2-(1-benzothiophen-3-yl)-6-(dimethylamino)-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-methyl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-morpholin-4-yl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-piperidin-1-yl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-pyrrolidin-1-yl-3H-quinazolin-4-one;2-(1H-indol-3-yl)-6-morpholin-4-yl-3H-quinazolin-4-one;2-(1H-indol-3-yl)-6-piperidin-1-yl-3H-quinazolin-4-one

C137H118N22O9S5 — CID 159466803

IUPAC2-(1-benzothiophen-3-yl)-6-(dimethylamino)-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-methyl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-morpholin-4-yl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-piperidin-1-yl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-pyrrolidin-1-yl-3H-quinazolin-4-one;2-(1H-indol-3-yl)-6-morpholin-4-yl-3H-quinazolin-4-one;2-(1H-indol-3-yl)-6-piperidin-1-yl-3H-quinazolin-4-one
SMILESCN(C)c1ccc2nc(-c3csc4ccccc34)[nH]c(=O)c2c1.Cc1ccc2nc(-c3csc4ccccc34)[nH]c(=O)c2c1.O=c1[nH]c(-c2c[nH]c3ccccc23)nc2ccc(N3CCCCC3)cc12.O=c1[nH]c(-c2c[nH]c3ccccc23)nc2ccc(N3CCOCC3)cc12.O=c1[nH]c(-c2csc3ccccc23)nc2ccc(N3CCCC3)cc12.O=c1[nH]c(-c2csc3ccccc23)nc2ccc(N3CCCCC3)cc12.O=c1[nH]c(-c2csc3ccccc23)nc2ccc(N3CCOCC3)cc12
InChIInChI=1S/C21H20N4O.C21H19N3OS.C20H18N4O2.C20H17N3O2S.C20H17N3OS.C18H15N3OS.C17H12N2OS/c26-21-16-12-14(25-10-4-1-5-11-25)8-9-19(16)23-20(24-21)17-13-22-18-7-3-2-6-15(17)18;25-21-16-12-14(24-10-4-1-5-11-24)8-9-18(16)22-20(23-21)17-13-26-19-7-3-2-6-15(17)19;25-20-15-11-13(24-7-9-26-10-8-24)5-6-18(15)22-19(23-20)16-12-21-17-4-2-1-3-14(16)17;24-20-15-11-13(23-7-9-25-10-8-23)5-6-17(15)21-19(22-20)16-12-26-18-4-2-1-3-14(16)18;24-20-15-11-13(23-9-3-4-10-23)7-8-17(15)21-19(22-20)16-12-25-18-6-2-1-5-14(16)18;1-21(2)11-7-8-15-13(9-11)18(22)20-17(19-15)14-10-23-16-6-4-3-5-12(14)16;1-10-6-7-14-12(8-10)17(20)19-16(18-14)13-9-21-15-5-3-2-4-11(13)15/h2-3,6-9,12-13,22H,1,4-5,10-11H2,(H,23,24,26);2-3,6-9,12-13H,1,4-5,10-11H2,(H,22,23,25);1-6,11-12,21H,7-10H2,(H,22,23,25);1-6,11-12H,7-10H2,(H,21,22,24);1-2,5-8,11-12H,3-4,9-10H2,(H,21,22,24);3-10H,1-2H3,(H,19,20,22);2-9H,1H3,(H,18,19,20)
InChIKeyLVHDACDEYGJHBC-UHFFFAOYSA-N
MW2376.93 g/mol
LogP27.80
Rot. Bonds13

About 2-(1-benzothiophen-3-yl)-6-(dimethylamino)-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-methyl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-morpholin-4-yl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-piperidin-1-yl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-pyrrolidin-1-yl-3H-quinazolin-4-one;2-(1H-indol-3-yl)-6-morpholin-4-yl-3H-quinazolin-4-one;2-(1H-indol-3-yl)-6-piperidin-1-yl-3H-quinazolin-4-one

2-(1-benzothiophen-3-yl)-6-(dimethylamino)-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-methyl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-morpholin-4-yl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-piperidin-1-yl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-pyrrolidin-1-yl-3H-quinazolin-4-one;2-(1H-indol-3-yl)-6-morpholin-4-yl-3H-quinazolin-4-one;2-(1H-indol-3-yl)-6-piperidin-1-yl-3H-quinazolin-4-one (PubChem CID 159466803) has the molecular formula C137H118N22O9S5 and a molecular weight of 2376.93 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-6-(dimethylamino)-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-methyl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-morpholin-4-yl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-piperidin-1-yl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-pyrrolidin-1-yl-3H-quinazolin-4-one;2-(1H-indol-3-yl)-6-morpholin-4-yl-3H-quinazolin-4-one;2-(1H-indol-3-yl)-6-piperidin-1-yl-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-6-(dimethylamino)-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-methyl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-morpholin-4-yl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-piperidin-1-yl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-pyrrolidin-1-yl-3H-quinazolin-4-one;2-(1H-indol-3-yl)-6-morpholin-4-yl-3H-quinazolin-4-one;2-(1H-indol-3-yl)-6-piperidin-1-yl-3H-quinazolin-4-one
PubChem CID159466803
Molecular FormulaC137H118N22O9S5
Molecular Weight2376.93 g/mol
Exact Mass2374.81
IUPAC Name2-(1-benzothiophen-3-yl)-6-(dimethylamino)-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-methyl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-morpholin-4-yl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-piperidin-1-yl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-pyrrolidin-1-yl-3H-quinazolin-4-one;2-(1H-indol-3-yl)-6-morpholin-4-yl-3H-quinazolin-4-one;2-(1H-indol-3-yl)-6-piperidin-1-yl-3H-quinazolin-4-one
SMILESCN(C)c1ccc2nc(-c3csc4ccccc34)[nH]c(=O)c2c1.Cc1ccc2nc(-c3csc4ccccc34)[nH]c(=O)c2c1.O=c1[nH]c(-c2c[nH]c3ccccc23)nc2ccc(N3CCCCC3)cc12.O=c1[nH]c(-c2c[nH]c3ccccc23)nc2ccc(N3CCOCC3)cc12.O=c1[nH]c(-c2csc3ccccc23)nc2ccc(N3CCCC3)cc12.O=c1[nH]c(-c2csc3ccccc23)nc2ccc(N3CCCCC3)cc12.O=c1[nH]c(-c2csc3ccccc23)nc2ccc(N3CCOCC3)cc12
InChIInChI=1S/C21H20N4O.C21H19N3OS.C20H18N4O2.C20H17N3O2S.C20H17N3OS.C18H15N3OS.C17H12N2OS/c26-21-16-12-14(25-10-4-1-5-11-25)8-9-19(16)23-20(24-21)17-13-22-18-7-3-2-6-15(17)18;25-21-16-12-14(24-10-4-1-5-11-24)8-9-18(16)22-20(23-21)17-13-26-19-7-3-2-6-15(17)19;25-20-15-11-13(24-7-9-26-10-8-24)5-6-18(15)22-19(23-20)16-12-21-17-4-2-1-3-14(16)17;24-20-15-11-13(23-7-9-25-10-8-23)5-6-17(15)21-19(22-20)16-12-26-18-4-2-1-3-14(16)18;24-20-15-11-13(23-9-3-4-10-23)7-8-17(15)21-19(22-20)16-12-25-18-6-2-1-5-14(16)18;1-21(2)11-7-8-15-13(9-11)18(22)20-17(19-15)14-10-23-16-6-4-3-5-12(14)16;1-10-6-7-14-12(8-10)17(20)19-16(18-14)13-9-21-15-5-3-2-4-11(13)15/h2-3,6-9,12-13,22H,1,4-5,10-11H2,(H,23,24,26);2-3,6-9,12-13H,1,4-5,10-11H2,(H,22,23,25);1-6,11-12,21H,7-10H2,(H,22,23,25);1-6,11-12H,7-10H2,(H,21,22,24);1-2,5-8,11-12H,3-4,9-10H2,(H,21,22,24);3-10H,1-2H3,(H,19,20,22);2-9H,1H3,(H,18,19,20)
InChIKeyLVHDACDEYGJHBC-UHFFFAOYSA-N
XLogP27.80
TPSA389.73 Ų
H-Bond Donors9
H-Bond Acceptors27
Rotatable Bonds13
Heavy Atoms173
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002376.93
LogP ≤ 527.80
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1027

Analyze 2-(1-benzothiophen-3-yl)-6-(dimethylamino)-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-methyl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-morpholin-4-yl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-piperidin-1-yl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-pyrrolidin-1-yl-3H-quinazolin-4-one;2-(1H-indol-3-yl)-6-morpholin-4-yl-3H-quinazolin-4-one;2-(1H-indol-3-yl)-6-piperidin-1-yl-3H-quinazolin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-6-(dimethylamino)-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-methyl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-morpholin-4-yl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-piperidin-1-yl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-pyrrolidin-1-yl-3H-quinazolin-4-one;2-(1H-indol-3-yl)-6-morpholin-4-yl-3H-quinazolin-4-one;2-(1H-indol-3-yl)-6-piperidin-1-yl-3H-quinazolin-4-one?
The IUPAC name of 2-(1-benzothiophen-3-yl)-6-(dimethylamino)-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-methyl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-morpholin-4-yl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-piperidin-1-yl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-pyrrolidin-1-yl-3H-quinazolin-4-one;2-(1H-indol-3-yl)-6-morpholin-4-yl-3H-quinazolin-4-one;2-(1H-indol-3-yl)-6-piperidin-1-yl-3H-quinazolin-4-one (CID 159466803) is 2-(1-benzothiophen-3-yl)-6-(dimethylamino)-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-methyl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-morpholin-4-yl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-piperidin-1-yl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-pyrrolidin-1-yl-3H-quinazolin-4-one;2-(1H-indol-3-yl)-6-morpholin-4-yl-3H-quinazolin-4-one;2-(1H-indol-3-yl)-6-piperidin-1-yl-3H-quinazolin-4-one.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-6-(dimethylamino)-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-methyl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-morpholin-4-yl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-piperidin-1-yl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-pyrrolidin-1-yl-3H-quinazolin-4-one;2-(1H-indol-3-yl)-6-morpholin-4-yl-3H-quinazolin-4-one;2-(1H-indol-3-yl)-6-piperidin-1-yl-3H-quinazolin-4-one?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-6-(dimethylamino)-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-methyl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-morpholin-4-yl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-piperidin-1-yl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-pyrrolidin-1-yl-3H-quinazolin-4-one;2-(1H-indol-3-yl)-6-morpholin-4-yl-3H-quinazolin-4-one;2-(1H-indol-3-yl)-6-piperidin-1-yl-3H-quinazolin-4-one is CN(C)c1ccc2nc(-c3csc4ccccc34)[nH]c(=O)c2c1.Cc1ccc2nc(-c3csc4ccccc34)[nH]c(=O)c2c1.O=c1[nH]c(-c2c[nH]c3ccccc23)nc2ccc(N3CCCCC3)cc12.O=c1[nH]c(-c2c[nH]c3ccccc23)nc2ccc(N3CCOCC3)cc12.O=c1[nH]c(-c2csc3ccccc23)nc2ccc(N3CCCC3)cc12.O=c1[nH]c(-c2csc3ccccc23)nc2ccc(N3CCCCC3)cc12.O=c1[nH]c(-c2csc3ccccc23)nc2ccc(N3CCOCC3)cc12.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-6-(dimethylamino)-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-methyl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-morpholin-4-yl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-piperidin-1-yl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-pyrrolidin-1-yl-3H-quinazolin-4-one;2-(1H-indol-3-yl)-6-morpholin-4-yl-3H-quinazolin-4-one;2-(1H-indol-3-yl)-6-piperidin-1-yl-3H-quinazolin-4-one?
The InChIKey is LVHDACDEYGJHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O.C21H19N3OS.C20H18N4O2.C20H17N3O2S.C20H17N3OS.C18H15N3OS.C17H12N2OS/c26-21-16-12-14(25-10-4-1-5-11-25)8-9-19(16)23-20(24-21)17-13-22-18-7-3-2-6-15(17)18;25-21-16-12-14(24-10-4-1-5-11-24)8-9-18(16)22-20(23-21)17-13-26-19-7-3-2-6-15(17)19;25-20-15-11-13(24-7-9-26-10-8-24)5-6-18(15)22-19(23-20)16-12-21-17-4-2-1-3-14(16)17;24-20-15-11-13(23-7-9-25-10-8-23)5-6-17(15)21-19(22-20)16-12-26-18-4-2-1-3-14(16)18;24-20-15-11-13(23-9-3-4-10-23)7-8-17(15)21-19(22-20)16-12-25-18-6-2-1-5-14(16)18;1-21(2)11-7-8-15-13(9-11)18(22)20-17(19-15)14-10-23-16-6-4-3-5-12(14)16;1-10-6-7-14-12(8-10)17(20)19-16(18-14)13-9-21-15-5-3-2-4-11(13)15/h2-3,6-9,12-13,22H,1,4-5,10-11H2,(H,23,24,26);2-3,6-9,12-13H,1,4-5,10-11H2,(H,22,23,25);1-6,11-12,21H,7-10H2,(H,22,23,25);1-6,11-12H,7-10H2,(H,21,22,24);1-2,5-8,11-12H,3-4,9-10H2,(H,21,22,24);3-10H,1-2H3,(H,19,20,22);2-9H,1H3,(H,18,19,20).
What are the key properties of 2-(1-benzothiophen-3-yl)-6-(dimethylamino)-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-methyl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-morpholin-4-yl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-piperidin-1-yl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-pyrrolidin-1-yl-3H-quinazolin-4-one;2-(1H-indol-3-yl)-6-morpholin-4-yl-3H-quinazolin-4-one;2-(1H-indol-3-yl)-6-piperidin-1-yl-3H-quinazolin-4-one?
2-(1-benzothiophen-3-yl)-6-(dimethylamino)-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-methyl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-morpholin-4-yl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-piperidin-1-yl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-pyrrolidin-1-yl-3H-quinazolin-4-one;2-(1H-indol-3-yl)-6-morpholin-4-yl-3H-quinazolin-4-one;2-(1H-indol-3-yl)-6-piperidin-1-yl-3H-quinazolin-4-one has a molecular weight of 2376.93 g/mol, XLogP of 27.80, 13 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-6-(dimethylamino)-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-methyl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-morpholin-4-yl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-piperidin-1-yl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-pyrrolidin-1-yl-3H-quinazolin-4-one;2-(1H-indol-3-yl)-6-morpholin-4-yl-3H-quinazolin-4-one;2-(1H-indol-3-yl)-6-piperidin-1-yl-3H-quinazolin-4-one is sourced from PubChem (CID 159466803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).