N-[8-amino-6-(2,3-dihydro-1H-indol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide;N-[8-amino-6-[(2R)-2-methyl-2,3-dihydro-1H-indol-4-yl]isoquinolin-3-yl]cyclopropanecarboxamide;N-[8-amino-6-[(2S)-2-methyl-2,3-dihydro-1H-indol-4-yl]isoquinolin-3-yl]cyclopropanecarboxamide;methane

C₆₆H₆₈N₁₂O₃ — CID 162263736

About N-[8-amino-6-(2,3-dihydro-1H-indol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide;N-[8-amino-6-[(2R)-2-methyl-2,3-dihydro-1H-indol-4-yl]isoquinolin-3-yl]cyclopropanecarboxamide;N-[8-amino-6-[(2S)-2-methyl-2,3-dihydro-1H-indol-4-yl]isoquinolin-3-yl]cyclopropanecarboxamide;methane

N-[8-amino-6-(2,3-dihydro-1H-indol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide;N-[8-amino-6-[(2R)-2-methyl-2,3-dihydro-1H-indol-4-yl]isoquinolin-3-yl]cyclopropanecarboxamide;N-[8-amino-6-[(2S)-2-methyl-2,3-dihydro-1H-indol-4-yl]isoquinolin-3-yl]cyclopropanecarboxamide;methane (PubChem CID 162263736) has the molecular formula C₆₆H₆₈N₁₂O₃ and a molecular weight of 1077.35 g/mol. Its IUPAC name is N-[8-amino-6-(2,3-dihydro-1H-indol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide;N-[8-amino-6-[(2R)-2-methyl-2,3-dihydro-1H-indol-4-yl]isoquinolin-3-yl]cyclopropanecarboxamide;N-[8-amino-6-[(2S)-2-methyl-2,3-dihydro-1H-indol-4-yl]isoquinolin-3-yl]cyclopropanecarboxamide;methane.

Molecular Properties

• Compound Name: N-[8-amino-6-(2,3-dihydro-1H-indol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide;N-[8-amino-6-[(2R)-2-methyl-2,3-dihydro-1H-indol-4-yl]isoquinolin-3-yl]cyclopropanecarboxamide;N-[8-amino-6-[(2S)-2-methyl-2,3-dihydro-1H-indol-4-yl]isoquinolin-3-yl]cyclopropanecarboxamide;methane
• PubChem CID: 162263736
• Molecular Formula: C₆₆H₆₈N₁₂O₃
• Molecular Weight: 1077.35 g/mol
• Exact Mass: 1076.55
• IUPAC Name: N-[8-amino-6-(2,3-dihydro-1H-indol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide;N-[8-amino-6-[(2R)-2-methyl-2,3-dihydro-1H-indol-4-yl]isoquinolin-3-yl]cyclopropanecarboxamide;N-[8-amino-6-[(2S)-2-methyl-2,3-dihydro-1H-indol-4-yl]isoquinolin-3-yl]cyclopropanecarboxamide;methane
• SMILES: C.C[C@@H]1Cc2c(cccc2-c2cc(N)c3cnc(NC(=O)C4CC4)cc3c2)N1.C[C@H]1Cc2c(cccc2-c2cc(N)c3cnc(NC(=O)C4CC4)cc3c2)N1.Nc1cc(-c2cccc3c2CCN3)cc2cc(NC(=O)C3CC3)ncc12
• InChI: InChI=1S/2C22H22N4O.C21H20N4O.CH4/c2*1-12-7-17-16(3-2-4-20(17)25-12)14-8-15-10-21(26-22(27)13-5-6-13)24-11-18(15)19(23)9-14;22-18-9-13(15-2-1-3-19-16(15)6-7-23-19)8-14-10-20(24-11-17(14)18)25-21(26)12-4-5-12;/h2*2-4,8-13,25H,5-7,23H2,1H3,(H,24,26,27);1-3,8-12,23H,4-7,22H2,(H,24,25,26);1H4/t2*12-;;/m10../s1
• InChIKey: ZZPMNFYKASKDHS-VUIMEFRESA-N
• XLogP: 12.81
• TPSA: 240.12 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1077.35
LogP ≤ 5	12.81
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[8-amino-6-(2,3-dihydro-1H-indol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide;N-[8-amino-6-[(2R)-2-methyl-2,3-dihydro-1H-indol-4-yl]isoquinolin-3-yl]cyclopropanecarboxamide;N-[8-amino-6-[(2S)-2-methyl-2,3-dihydro-1H-indol-4-yl]isoquinolin-3-yl]cyclopropanecarboxamide;methane?

The IUPAC name of N-[8-amino-6-(2,3-dihydro-1H-indol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide;N-[8-amino-6-[(2R)-2-methyl-2,3-dihydro-1H-indol-4-yl]isoquinolin-3-yl]cyclopropanecarboxamide;N-[8-amino-6-[(2S)-2-methyl-2,3-dihydro-1H-indol-4-yl]isoquinolin-3-yl]cyclopropanecarboxamide;methane (CID 162263736) is N-[8-amino-6-(2,3-dihydro-1H-indol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide;N-[8-amino-6-[(2R)-2-methyl-2,3-dihydro-1H-indol-4-yl]isoquinolin-3-yl]cyclopropanecarboxamide;N-[8-amino-6-[(2S)-2-methyl-2,3-dihydro-1H-indol-4-yl]isoquinolin-3-yl]cyclopropanecarboxamide;methane.

What is the SMILES notation for N-[8-amino-6-(2,3-dihydro-1H-indol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide;N-[8-amino-6-[(2R)-2-methyl-2,3-dihydro-1H-indol-4-yl]isoquinolin-3-yl]cyclopropanecarboxamide;N-[8-amino-6-[(2S)-2-methyl-2,3-dihydro-1H-indol-4-yl]isoquinolin-3-yl]cyclopropanecarboxamide;methane?

The canonical SMILES for N-[8-amino-6-(2,3-dihydro-1H-indol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide;N-[8-amino-6-[(2R)-2-methyl-2,3-dihydro-1H-indol-4-yl]isoquinolin-3-yl]cyclopropanecarboxamide;N-[8-amino-6-[(2S)-2-methyl-2,3-dihydro-1H-indol-4-yl]isoquinolin-3-yl]cyclopropanecarboxamide;methane is C.C[C@@H]1Cc2c(cccc2-c2cc(N)c3cnc(NC(=O)C4CC4)cc3c2)N1.C[C@H]1Cc2c(cccc2-c2cc(N)c3cnc(NC(=O)C4CC4)cc3c2)N1.Nc1cc(-c2cccc3c2CCN3)cc2cc(NC(=O)C3CC3)ncc12.

What is the InChIKey of N-[8-amino-6-(2,3-dihydro-1H-indol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide;N-[8-amino-6-[(2R)-2-methyl-2,3-dihydro-1H-indol-4-yl]isoquinolin-3-yl]cyclopropanecarboxamide;N-[8-amino-6-[(2S)-2-methyl-2,3-dihydro-1H-indol-4-yl]isoquinolin-3-yl]cyclopropanecarboxamide;methane?

The InChIKey is ZZPMNFYKASKDHS-VUIMEFRESA-N. The full InChI is InChI=1S/2C22H22N4O.C21H20N4O.CH4/c2*1-12-7-17-16(3-2-4-20(17)25-12)14-8-15-10-21(26-22(27)13-5-6-13)24-11-18(15)19(23)9-14;22-18-9-13(15-2-1-3-19-16(15)6-7-23-19)8-14-10-20(24-11-17(14)18)25-21(26)12-4-5-12;/h2*2-4,8-13,25H,5-7,23H2,1H3,(H,24,26,27);1-3,8-12,23H,4-7,22H2,(H,24,25,26);1H4/t2*12-;;/m10../s1.

What are the key properties of N-[8-amino-6-(2,3-dihydro-1H-indol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide;N-[8-amino-6-[(2R)-2-methyl-2,3-dihydro-1H-indol-4-yl]isoquinolin-3-yl]cyclopropanecarboxamide;N-[8-amino-6-[(2S)-2-methyl-2,3-dihydro-1H-indol-4-yl]isoquinolin-3-yl]cyclopropanecarboxamide;methane?

N-[8-amino-6-(2,3-dihydro-1H-indol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide;N-[8-amino-6-[(2R)-2-methyl-2,3-dihydro-1H-indol-4-yl]isoquinolin-3-yl]cyclopropanecarboxamide;N-[8-amino-6-[(2S)-2-methyl-2,3-dihydro-1H-indol-4-yl]isoquinolin-3-yl]cyclopropanecarboxamide;methane has a molecular weight of 1077.35 g/mol, XLogP of 12.81, 9 rotatable bonds, 9 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[8-amino-6-(2,3-dihydro-1H-indol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide;N-[8-amino-6-[(2R)-2-methyl-2,3-dihydro-1H-indol-4-yl]isoquinolin-3-yl]cyclopropanecarboxamide;N-[8-amino-6-[(2S)-2-methyl-2,3-dihydro-1H-indol-4-yl]isoquinolin-3-yl]cyclopropanecarboxamide;methane is sourced from PubChem (CID 162263736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 162263736 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.