N'-[1-[2-(dimethylamino)ethyl]-2-methylidene-4,5-dihydro-3H-1-benzazepin-7-yl]thiophene-2-carboximidamide;N'-[3-methyl-1-(1-methylpiperidin-4-yl)-2-oxo-3H-indol-5-yl]thiophene-2-carboximidamide;N'-[1-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide;N'-[1-(1-methylpiperidin-4-yl)-2-oxo-3,4-dihydroquinolin-6-yl]thiophene-2-carboximidamide;bis(N'-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide)

C122H156N24O2S6 — CID 158446939

About N'-[1-[2-(dimethylamino)ethyl]-2-methylidene-4,5-dihydro-3H-1-benzazepin-7-yl]thiophene-2-carboximidamide;N'-[3-methyl-1-(1-methylpiperidin-4-yl)-2-oxo-3H-indol-5-yl]thiophene-2-carboximidamide;N'-[1-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide;N'-[1-(1-methylpiperidin-4-yl)-2-oxo-3,4-dihydroquinolin-6-yl]thiophene-2-carboximidamide;bis(N'-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide)

N'-[1-[2-(dimethylamino)ethyl]-2-methylidene-4,5-dihydro-3H-1-benzazepin-7-yl]thiophene-2-carboximidamide;N'-[3-methyl-1-(1-methylpiperidin-4-yl)-2-oxo-3H-indol-5-yl]thiophene-2-carboximidamide;N'-[1-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide;N'-[1-(1-methylpiperidin-4-yl)-2-oxo-3,4-dihydroquinolin-6-yl]thiophene-2-carboximidamide;bis(N'-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide) (PubChem CID 158446939) has the molecular formula C122H156N24O2S6 and a molecular weight of 2183.16 g/mol. Its IUPAC name is N'-[1-[2-(dimethylamino)ethyl]-2-methylidene-4,5-dihydro-3H-1-benzazepin-7-yl]thiophene-2-carboximidamide;N'-[3-methyl-1-(1-methylpiperidin-4-yl)-2-oxo-3H-indol-5-yl]thiophene-2-carboximidamide;N'-[1-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide;N'-[1-(1-methylpiperidin-4-yl)-2-oxo-3,4-dihydroquinolin-6-yl]thiophene-2-carboximidamide;bis(N'-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide).

Molecular Properties

• Compound Name: N'-[1-[2-(dimethylamino)ethyl]-2-methylidene-4,5-dihydro-3H-1-benzazepin-7-yl]thiophene-2-carboximidamide;N'-[3-methyl-1-(1-methylpiperidin-4-yl)-2-oxo-3H-indol-5-yl]thiophene-2-carboximidamide;N'-[1-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide;N'-[1-(1-methylpiperidin-4-yl)-2-oxo-3,4-dihydroquinolin-6-yl]thiophene-2-carboximidamide;bis(N'-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide)
• PubChem CID: 158446939
• Molecular Formula: C122H156N24O2S6
• Molecular Weight: 2183.16 g/mol
• Exact Mass: 2181.12
• IUPAC Name: N'-[1-[2-(dimethylamino)ethyl]-2-methylidene-4,5-dihydro-3H-1-benzazepin-7-yl]thiophene-2-carboximidamide;N'-[3-methyl-1-(1-methylpiperidin-4-yl)-2-oxo-3H-indol-5-yl]thiophene-2-carboximidamide;N'-[1-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide;N'-[1-(1-methylpiperidin-4-yl)-2-oxo-3,4-dihydroquinolin-6-yl]thiophene-2-carboximidamide;bis(N'-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide)
• SMILES: C=C1CCCc2cc(/N=C(\N)c3cccs3)ccc2N1CCN(C)C.CC1C(=O)N(C2CCN(C)CC2)c2ccc(/N=C(\N)c3cccs3)cc21.CN1CCC(N2C(=O)CCc3cc(/N=C(\N)c4cccs4)ccc32)CC1.CN1CCC(N2CCCc3cc(/N=C(\N)c4cccs4)ccc32)CC1.CN1CCCC1CCN1CCCc2cc(/N=C(\N)c3cccs3)ccc21.CN1CCCC1CCN1CCCc2cc(/N=C(\N)c3cccs3)ccc21
• InChI: InChI=1S/2C21H28N4S.2C20H24N4OS.2C20H26N4S/c2*1-24-11-3-6-18(24)10-13-25-12-2-5-16-15-17(8-9-19(16)25)23-21(22)20-7-4-14-26-20;1-13-16-12-14(22-19(21)18-4-3-11-26-18)5-6-17(16)24(20(13)25)15-7-9-23(2)10-8-15;1-23-10-8-16(9-11-23)24-17-6-5-15(13-14(17)4-7-19(24)25)22-20(21)18-3-2-12-26-18;1-23-11-8-17(9-12-23)24-10-2-4-15-14-16(6-7-18(15)24)22-20(21)19-5-3-13-25-19;1-15-6-4-7-16-14-17(22-20(21)19-8-5-13-25-19)9-10-18(16)24(15)12-11-23(2)3/h2*4,7-9,14-15,18H,2-3,5-6,10-13H2,1H3,(H2,22,23);3-6,11-13,15H,7-10H2,1-2H3,(H2,21,22);2-3,5-6,12-13,16H,4,7-11H2,1H3,(H2,21,22);3,5-7,13-14,17H,2,4,8-12H2,1H3,(H2,21,22);5,8-10,13-14H,1,4,6-7,11-12H2,2-3H3,(H2,21,22)
• InChIKey: HDMVAMWWGIDGBR-UHFFFAOYSA-N
• XLogP: 22.17
• TPSA: 303.30 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 24
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2183.16
LogP ≤ 5	22.17
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-[1-[2-(dimethylamino)ethyl]-2-methylidene-4,5-dihydro-3H-1-benzazepin-7-yl]thiophene-2-carboximidamide;N'-[3-methyl-1-(1-methylpiperidin-4-yl)-2-oxo-3H-indol-5-yl]thiophene-2-carboximidamide;N'-[1-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide;N'-[1-(1-methylpiperidin-4-yl)-2-oxo-3,4-dihydroquinolin-6-yl]thiophene-2-carboximidamide;bis(N'-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide)?

The IUPAC name of N'-[1-[2-(dimethylamino)ethyl]-2-methylidene-4,5-dihydro-3H-1-benzazepin-7-yl]thiophene-2-carboximidamide;N'-[3-methyl-1-(1-methylpiperidin-4-yl)-2-oxo-3H-indol-5-yl]thiophene-2-carboximidamide;N'-[1-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide;N'-[1-(1-methylpiperidin-4-yl)-2-oxo-3,4-dihydroquinolin-6-yl]thiophene-2-carboximidamide;bis(N'-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide) (CID 158446939) is N'-[1-[2-(dimethylamino)ethyl]-2-methylidene-4,5-dihydro-3H-1-benzazepin-7-yl]thiophene-2-carboximidamide;N'-[3-methyl-1-(1-methylpiperidin-4-yl)-2-oxo-3H-indol-5-yl]thiophene-2-carboximidamide;N'-[1-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide;N'-[1-(1-methylpiperidin-4-yl)-2-oxo-3,4-dihydroquinolin-6-yl]thiophene-2-carboximidamide;bis(N'-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide).

What is the SMILES notation for N'-[1-[2-(dimethylamino)ethyl]-2-methylidene-4,5-dihydro-3H-1-benzazepin-7-yl]thiophene-2-carboximidamide;N'-[3-methyl-1-(1-methylpiperidin-4-yl)-2-oxo-3H-indol-5-yl]thiophene-2-carboximidamide;N'-[1-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide;N'-[1-(1-methylpiperidin-4-yl)-2-oxo-3,4-dihydroquinolin-6-yl]thiophene-2-carboximidamide;bis(N'-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide)?

The canonical SMILES for N'-[1-[2-(dimethylamino)ethyl]-2-methylidene-4,5-dihydro-3H-1-benzazepin-7-yl]thiophene-2-carboximidamide;N'-[3-methyl-1-(1-methylpiperidin-4-yl)-2-oxo-3H-indol-5-yl]thiophene-2-carboximidamide;N'-[1-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide;N'-[1-(1-methylpiperidin-4-yl)-2-oxo-3,4-dihydroquinolin-6-yl]thiophene-2-carboximidamide;bis(N'-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide) is C=C1CCCc2cc(/N=C(\N)c3cccs3)ccc2N1CCN(C)C.CC1C(=O)N(C2CCN(C)CC2)c2ccc(/N=C(\N)c3cccs3)cc21.CN1CCC(N2C(=O)CCc3cc(/N=C(\N)c4cccs4)ccc32)CC1.CN1CCC(N2CCCc3cc(/N=C(\N)c4cccs4)ccc32)CC1.CN1CCCC1CCN1CCCc2cc(/N=C(\N)c3cccs3)ccc21.CN1CCCC1CCN1CCCc2cc(/N=C(\N)c3cccs3)ccc21.

What is the InChIKey of N'-[1-[2-(dimethylamino)ethyl]-2-methylidene-4,5-dihydro-3H-1-benzazepin-7-yl]thiophene-2-carboximidamide;N'-[3-methyl-1-(1-methylpiperidin-4-yl)-2-oxo-3H-indol-5-yl]thiophene-2-carboximidamide;N'-[1-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide;N'-[1-(1-methylpiperidin-4-yl)-2-oxo-3,4-dihydroquinolin-6-yl]thiophene-2-carboximidamide;bis(N'-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide)?

The InChIKey is HDMVAMWWGIDGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H28N4S.2C20H24N4OS.2C20H26N4S/c2*1-24-11-3-6-18(24)10-13-25-12-2-5-16-15-17(8-9-19(16)25)23-21(22)20-7-4-14-26-20;1-13-16-12-14(22-19(21)18-4-3-11-26-18)5-6-17(16)24(20(13)25)15-7-9-23(2)10-8-15;1-23-10-8-16(9-11-23)24-17-6-5-15(13-14(17)4-7-19(24)25)22-20(21)18-3-2-12-26-18;1-23-11-8-17(9-12-23)24-10-2-4-15-14-16(6-7-18(15)24)22-20(21)19-5-3-13-25-19;1-15-6-4-7-16-14-17(22-20(21)19-8-5-13-25-19)9-10-18(16)24(15)12-11-23(2)3/h2*4,7-9,14-15,18H,2-3,5-6,10-13H2,1H3,(H2,22,23);3-6,11-13,15H,7-10H2,1-2H3,(H2,21,22);2-3,5-6,12-13,16H,4,7-11H2,1H3,(H2,21,22);3,5-7,13-14,17H,2,4,8-12H2,1H3,(H2,21,22);5,8-10,13-14H,1,4,6-7,11-12H2,2-3H3,(H2,21,22).

What are the key properties of N'-[1-[2-(dimethylamino)ethyl]-2-methylidene-4,5-dihydro-3H-1-benzazepin-7-yl]thiophene-2-carboximidamide;N'-[3-methyl-1-(1-methylpiperidin-4-yl)-2-oxo-3H-indol-5-yl]thiophene-2-carboximidamide;N'-[1-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide;N'-[1-(1-methylpiperidin-4-yl)-2-oxo-3,4-dihydroquinolin-6-yl]thiophene-2-carboximidamide;bis(N'-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide)?

N'-[1-[2-(dimethylamino)ethyl]-2-methylidene-4,5-dihydro-3H-1-benzazepin-7-yl]thiophene-2-carboximidamide;N'-[3-methyl-1-(1-methylpiperidin-4-yl)-2-oxo-3H-indol-5-yl]thiophene-2-carboximidamide;N'-[1-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide;N'-[1-(1-methylpiperidin-4-yl)-2-oxo-3,4-dihydroquinolin-6-yl]thiophene-2-carboximidamide;bis(N'-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide) has a molecular weight of 2183.16 g/mol, XLogP of 22.17, 24 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[1-[2-(dimethylamino)ethyl]-2-methylidene-4,5-dihydro-3H-1-benzazepin-7-yl]thiophene-2-carboximidamide;N'-[3-methyl-1-(1-methylpiperidin-4-yl)-2-oxo-3H-indol-5-yl]thiophene-2-carboximidamide;N'-[1-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide;N'-[1-(1-methylpiperidin-4-yl)-2-oxo-3,4-dihydroquinolin-6-yl]thiophene-2-carboximidamide;bis(N'-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide) is sourced from PubChem (CID 158446939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).