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

C114H99N21O7S2 — CID 158848173

IUPAC2-(1-benzothiophen-3-yl)-6-(dimethylamino)-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-methyl-3H-quinazolin-4-one;6-(dimethylamino)-2-(1H-indol-3-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-(1H-indol-3-yl)-6-pyrrolidin-1-yl-3H-quinazolin-4-one
SMILESCN(C)c1ccc2nc(-c3c[nH]c4ccccc34)[nH]c(=O)c2c1.CN(C)c1ccc2nc(-c3csc4ccccc34)[nH]c(=O)c2c1.Cc1ccc2nc(-c3csc4ccccc34)[nH]c(=O)c2c1.O=c1[nH]c(-c2c[nH]c3ccccc23)nc2ccc(N3CCCC3)cc12.O=c1[nH]c(-c2c[nH]c3ccccc23)nc2ccc(N3CCCCC3)cc12.O=c1[nH]c(-c2c[nH]c3ccccc23)nc2ccc(N3CCOCC3)cc12
InChIInChI=1S/C21H20N4O.C20H18N4O2.C20H18N4O.C18H16N4O.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;25-20-15-11-13(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;25-20-15-11-13(24-9-3-4-10-24)7-8-18(15)22-19(23-20)16-12-21-17-6-2-1-5-14(16)17;1-22(2)11-7-8-16-13(9-11)18(23)21-17(20-16)14-10-19-15-6-4-3-5-12(14)15;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);1-6,11-12,21H,7-10H2,(H,22,23,25);1-2,5-8,11-12,21H,3-4,9-10H2,(H,22,23,25);3-10,19H,1-2H3,(H,20,21,23);3-10H,1-2H3,(H,19,20,22);2-9H,1H3,(H,18,19,20)
InChIKeyIZCJJVBVKFZJHN-UHFFFAOYSA-N
MW1939.32 g/mol
LogP21.76
Rot. Bonds11

About 2-(1-benzothiophen-3-yl)-6-(dimethylamino)-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-methyl-3H-quinazolin-4-one;6-(dimethylamino)-2-(1H-indol-3-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-(1H-indol-3-yl)-6-pyrrolidin-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;6-(dimethylamino)-2-(1H-indol-3-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-(1H-indol-3-yl)-6-pyrrolidin-1-yl-3H-quinazolin-4-one (PubChem CID 158848173) has the molecular formula C114H99N21O7S2 and a molecular weight of 1939.32 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;6-(dimethylamino)-2-(1H-indol-3-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-(1H-indol-3-yl)-6-pyrrolidin-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;6-(dimethylamino)-2-(1H-indol-3-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-(1H-indol-3-yl)-6-pyrrolidin-1-yl-3H-quinazolin-4-one
PubChem CID158848173
Molecular FormulaC114H99N21O7S2
Molecular Weight1939.32 g/mol
Exact Mass1937.75
IUPAC Name2-(1-benzothiophen-3-yl)-6-(dimethylamino)-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-methyl-3H-quinazolin-4-one;6-(dimethylamino)-2-(1H-indol-3-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-(1H-indol-3-yl)-6-pyrrolidin-1-yl-3H-quinazolin-4-one
SMILESCN(C)c1ccc2nc(-c3c[nH]c4ccccc34)[nH]c(=O)c2c1.CN(C)c1ccc2nc(-c3csc4ccccc34)[nH]c(=O)c2c1.Cc1ccc2nc(-c3csc4ccccc34)[nH]c(=O)c2c1.O=c1[nH]c(-c2c[nH]c3ccccc23)nc2ccc(N3CCCC3)cc12.O=c1[nH]c(-c2c[nH]c3ccccc23)nc2ccc(N3CCCCC3)cc12.O=c1[nH]c(-c2c[nH]c3ccccc23)nc2ccc(N3CCOCC3)cc12
InChIInChI=1S/C21H20N4O.C20H18N4O2.C20H18N4O.C18H16N4O.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;25-20-15-11-13(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;25-20-15-11-13(24-9-3-4-10-24)7-8-18(15)22-19(23-20)16-12-21-17-6-2-1-5-14(16)17;1-22(2)11-7-8-16-13(9-11)18(23)21-17(20-16)14-10-19-15-6-4-3-5-12(14)15;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);1-6,11-12,21H,7-10H2,(H,22,23,25);1-2,5-8,11-12,21H,3-4,9-10H2,(H,22,23,25);3-10,19H,1-2H3,(H,20,21,23);3-10H,1-2H3,(H,19,20,22);2-9H,1H3,(H,18,19,20)
InChIKeyIZCJJVBVKFZJHN-UHFFFAOYSA-N
XLogP21.76
TPSA363.09 Ų
H-Bond Donors10
H-Bond Acceptors20
Rotatable Bonds11
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001939.32
LogP ≤ 521.76
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1020

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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;6-(dimethylamino)-2-(1H-indol-3-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-(1H-indol-3-yl)-6-pyrrolidin-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;6-(dimethylamino)-2-(1H-indol-3-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-(1H-indol-3-yl)-6-pyrrolidin-1-yl-3H-quinazolin-4-one (CID 158848173) is 2-(1-benzothiophen-3-yl)-6-(dimethylamino)-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-methyl-3H-quinazolin-4-one;6-(dimethylamino)-2-(1H-indol-3-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-(1H-indol-3-yl)-6-pyrrolidin-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;6-(dimethylamino)-2-(1H-indol-3-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-(1H-indol-3-yl)-6-pyrrolidin-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;6-(dimethylamino)-2-(1H-indol-3-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-(1H-indol-3-yl)-6-pyrrolidin-1-yl-3H-quinazolin-4-one is CN(C)c1ccc2nc(-c3c[nH]c4ccccc34)[nH]c(=O)c2c1.CN(C)c1ccc2nc(-c3csc4ccccc34)[nH]c(=O)c2c1.Cc1ccc2nc(-c3csc4ccccc34)[nH]c(=O)c2c1.O=c1[nH]c(-c2c[nH]c3ccccc23)nc2ccc(N3CCCC3)cc12.O=c1[nH]c(-c2c[nH]c3ccccc23)nc2ccc(N3CCCCC3)cc12.O=c1[nH]c(-c2c[nH]c3ccccc23)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;6-(dimethylamino)-2-(1H-indol-3-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-(1H-indol-3-yl)-6-pyrrolidin-1-yl-3H-quinazolin-4-one?
The InChIKey is IZCJJVBVKFZJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O.C20H18N4O2.C20H18N4O.C18H16N4O.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;25-20-15-11-13(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;25-20-15-11-13(24-9-3-4-10-24)7-8-18(15)22-19(23-20)16-12-21-17-6-2-1-5-14(16)17;1-22(2)11-7-8-16-13(9-11)18(23)21-17(20-16)14-10-19-15-6-4-3-5-12(14)15;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);1-6,11-12,21H,7-10H2,(H,22,23,25);1-2,5-8,11-12,21H,3-4,9-10H2,(H,22,23,25);3-10,19H,1-2H3,(H,20,21,23);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;6-(dimethylamino)-2-(1H-indol-3-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-(1H-indol-3-yl)-6-pyrrolidin-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;6-(dimethylamino)-2-(1H-indol-3-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-(1H-indol-3-yl)-6-pyrrolidin-1-yl-3H-quinazolin-4-one has a molecular weight of 1939.32 g/mol, XLogP of 21.76, 11 rotatable bonds, 10 hydrogen bond donors, and 20 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;6-(dimethylamino)-2-(1H-indol-3-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-(1H-indol-3-yl)-6-pyrrolidin-1-yl-3H-quinazolin-4-one is sourced from PubChem (CID 158848173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).