(8-methoxy-6H-pyrido[2,1-a]isoindol-5-ium-3-yl)-phenylmethanone;2-methyl-1-(6H-pyrido[2,1-a]isoindol-5-ium-3-yl)propan-1-one;phenyl-[9-(2-phenylphenyl)-6H-pyrido[2,1-a]isoindol-5-ium-3-yl]methanone;phenyl(6H-pyrido[2,1-a]isoindol-5-ium-8-yl)methanone;1-(6H-pyrido[2,1-a]isoindol-5-ium-3-yl)ethanone;1-(6H-pyrido[2,1-a]isoindol-5-ium-8-yl)ethanone

C114H92N6O7+6 — CID 157439383

About (8-methoxy-6H-pyrido[2,1-a]isoindol-5-ium-3-yl)-phenylmethanone;2-methyl-1-(6H-pyrido[2,1-a]isoindol-5-ium-3-yl)propan-1-one;phenyl-[9-(2-phenylphenyl)-6H-pyrido[2,1-a]isoindol-5-ium-3-yl]methanone;phenyl(6H-pyrido[2,1-a]isoindol-5-ium-8-yl)methanone;1-(6H-pyrido[2,1-a]isoindol-5-ium-3-yl)ethanone;1-(6H-pyrido[2,1-a]isoindol-5-ium-8-yl)ethanone

(8-methoxy-6H-pyrido[2,1-a]isoindol-5-ium-3-yl)-phenylmethanone;2-methyl-1-(6H-pyrido[2,1-a]isoindol-5-ium-3-yl)propan-1-one;phenyl-[9-(2-phenylphenyl)-6H-pyrido[2,1-a]isoindol-5-ium-3-yl]methanone;phenyl(6H-pyrido[2,1-a]isoindol-5-ium-8-yl)methanone;1-(6H-pyrido[2,1-a]isoindol-5-ium-3-yl)ethanone;1-(6H-pyrido[2,1-a]isoindol-5-ium-8-yl)ethanone (PubChem CID 157439383) has the molecular formula C114H92N6O7+6 and a molecular weight of 1658.02 g/mol. Its IUPAC name is (8-methoxy-6H-pyrido[2,1-a]isoindol-5-ium-3-yl)-phenylmethanone;2-methyl-1-(6H-pyrido[2,1-a]isoindol-5-ium-3-yl)propan-1-one;phenyl-[9-(2-phenylphenyl)-6H-pyrido[2,1-a]isoindol-5-ium-3-yl]methanone;phenyl(6H-pyrido[2,1-a]isoindol-5-ium-8-yl)methanone;1-(6H-pyrido[2,1-a]isoindol-5-ium-3-yl)ethanone;1-(6H-pyrido[2,1-a]isoindol-5-ium-8-yl)ethanone.

Molecular Properties

• Compound Name: (8-methoxy-6H-pyrido[2,1-a]isoindol-5-ium-3-yl)-phenylmethanone;2-methyl-1-(6H-pyrido[2,1-a]isoindol-5-ium-3-yl)propan-1-one;phenyl-[9-(2-phenylphenyl)-6H-pyrido[2,1-a]isoindol-5-ium-3-yl]methanone;phenyl(6H-pyrido[2,1-a]isoindol-5-ium-8-yl)methanone;1-(6H-pyrido[2,1-a]isoindol-5-ium-3-yl)ethanone;1-(6H-pyrido[2,1-a]isoindol-5-ium-8-yl)ethanone
• PubChem CID: 157439383
• Molecular Formula: C114H92N6O7+6
• Molecular Weight: 1658.02 g/mol
• Exact Mass: 1656.70
• IUPAC Name: (8-methoxy-6H-pyrido[2,1-a]isoindol-5-ium-3-yl)-phenylmethanone;2-methyl-1-(6H-pyrido[2,1-a]isoindol-5-ium-3-yl)propan-1-one;phenyl-[9-(2-phenylphenyl)-6H-pyrido[2,1-a]isoindol-5-ium-3-yl]methanone;phenyl(6H-pyrido[2,1-a]isoindol-5-ium-8-yl)methanone;1-(6H-pyrido[2,1-a]isoindol-5-ium-3-yl)ethanone;1-(6H-pyrido[2,1-a]isoindol-5-ium-8-yl)ethanone
• SMILES: CC(=O)c1ccc2[n+](c1)Cc1ccccc1-2.CC(=O)c1ccc2c(c1)C[n+]1ccccc1-2.CC(C)C(=O)c1ccc2[n+](c1)Cc1ccccc1-2.COc1ccc2c(c1)C[n+]1cc(C(=O)c3ccccc3)ccc1-2.O=C(c1ccccc1)c1ccc2[n+](c1)Cc1ccc(-c3ccccc3-c3ccccc3)cc1-2.O=C(c1ccccc1)c1ccc2c(c1)C[n+]1ccccc1-2
• InChI: InChI=1S/C31H22NO.C20H16NO2.C19H14NO.C16H16NO.2C14H12NO/c33-31(23-11-5-2-6-12-23)26-17-18-30-29-19-24(15-16-25(29)20-32(30)21-26)28-14-8-7-13-27(28)22-9-3-1-4-10-22;1-23-17-8-9-18-16(11-17)13-21-12-15(7-10-19(18)21)20(22)14-5-3-2-4-6-14;21-19(14-6-2-1-3-7-14)15-9-10-17-16(12-15)13-20-11-5-4-8-18(17)20;1-11(2)16(18)13-7-8-15-14-6-4-3-5-12(14)9-17(15)10-13;1-10(16)11-5-6-13-12(8-11)9-15-7-3-2-4-14(13)15;1-10(16)11-6-7-14-13-5-3-2-4-12(13)9-15(14)8-11/h1-19,21H,20H2;2-12H,13H2,1H3;1-12H,13H2;3-8,10-11H,9H2,1-2H3;2*2-8H,9H2,1H3/q6*+1
• InChIKey: MFSPALCZURUKQM-UHFFFAOYSA-N
• XLogP: 20.30
• TPSA: 134.93 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1658.02
LogP ≤ 5	20.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (8-methoxy-6H-pyrido[2,1-a]isoindol-5-ium-3-yl)-phenylmethanone;2-methyl-1-(6H-pyrido[2,1-a]isoindol-5-ium-3-yl)propan-1-one;phenyl-[9-(2-phenylphenyl)-6H-pyrido[2,1-a]isoindol-5-ium-3-yl]methanone;phenyl(6H-pyrido[2,1-a]isoindol-5-ium-8-yl)methanone;1-(6H-pyrido[2,1-a]isoindol-5-ium-3-yl)ethanone;1-(6H-pyrido[2,1-a]isoindol-5-ium-8-yl)ethanone?

The IUPAC name of (8-methoxy-6H-pyrido[2,1-a]isoindol-5-ium-3-yl)-phenylmethanone;2-methyl-1-(6H-pyrido[2,1-a]isoindol-5-ium-3-yl)propan-1-one;phenyl-[9-(2-phenylphenyl)-6H-pyrido[2,1-a]isoindol-5-ium-3-yl]methanone;phenyl(6H-pyrido[2,1-a]isoindol-5-ium-8-yl)methanone;1-(6H-pyrido[2,1-a]isoindol-5-ium-3-yl)ethanone;1-(6H-pyrido[2,1-a]isoindol-5-ium-8-yl)ethanone (CID 157439383) is (8-methoxy-6H-pyrido[2,1-a]isoindol-5-ium-3-yl)-phenylmethanone;2-methyl-1-(6H-pyrido[2,1-a]isoindol-5-ium-3-yl)propan-1-one;phenyl-[9-(2-phenylphenyl)-6H-pyrido[2,1-a]isoindol-5-ium-3-yl]methanone;phenyl(6H-pyrido[2,1-a]isoindol-5-ium-8-yl)methanone;1-(6H-pyrido[2,1-a]isoindol-5-ium-3-yl)ethanone;1-(6H-pyrido[2,1-a]isoindol-5-ium-8-yl)ethanone.

What is the SMILES notation for (8-methoxy-6H-pyrido[2,1-a]isoindol-5-ium-3-yl)-phenylmethanone;2-methyl-1-(6H-pyrido[2,1-a]isoindol-5-ium-3-yl)propan-1-one;phenyl-[9-(2-phenylphenyl)-6H-pyrido[2,1-a]isoindol-5-ium-3-yl]methanone;phenyl(6H-pyrido[2,1-a]isoindol-5-ium-8-yl)methanone;1-(6H-pyrido[2,1-a]isoindol-5-ium-3-yl)ethanone;1-(6H-pyrido[2,1-a]isoindol-5-ium-8-yl)ethanone?

The canonical SMILES for (8-methoxy-6H-pyrido[2,1-a]isoindol-5-ium-3-yl)-phenylmethanone;2-methyl-1-(6H-pyrido[2,1-a]isoindol-5-ium-3-yl)propan-1-one;phenyl-[9-(2-phenylphenyl)-6H-pyrido[2,1-a]isoindol-5-ium-3-yl]methanone;phenyl(6H-pyrido[2,1-a]isoindol-5-ium-8-yl)methanone;1-(6H-pyrido[2,1-a]isoindol-5-ium-3-yl)ethanone;1-(6H-pyrido[2,1-a]isoindol-5-ium-8-yl)ethanone is CC(=O)c1ccc2[n+](c1)Cc1ccccc1-2.CC(=O)c1ccc2c(c1)C[n+]1ccccc1-2.CC(C)C(=O)c1ccc2[n+](c1)Cc1ccccc1-2.COc1ccc2c(c1)C[n+]1cc(C(=O)c3ccccc3)ccc1-2.O=C(c1ccccc1)c1ccc2[n+](c1)Cc1ccc(-c3ccccc3-c3ccccc3)cc1-2.O=C(c1ccccc1)c1ccc2c(c1)C[n+]1ccccc1-2.

What is the InChIKey of (8-methoxy-6H-pyrido[2,1-a]isoindol-5-ium-3-yl)-phenylmethanone;2-methyl-1-(6H-pyrido[2,1-a]isoindol-5-ium-3-yl)propan-1-one;phenyl-[9-(2-phenylphenyl)-6H-pyrido[2,1-a]isoindol-5-ium-3-yl]methanone;phenyl(6H-pyrido[2,1-a]isoindol-5-ium-8-yl)methanone;1-(6H-pyrido[2,1-a]isoindol-5-ium-3-yl)ethanone;1-(6H-pyrido[2,1-a]isoindol-5-ium-8-yl)ethanone?

The InChIKey is MFSPALCZURUKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22NO.C20H16NO2.C19H14NO.C16H16NO.2C14H12NO/c33-31(23-11-5-2-6-12-23)26-17-18-30-29-19-24(15-16-25(29)20-32(30)21-26)28-14-8-7-13-27(28)22-9-3-1-4-10-22;1-23-17-8-9-18-16(11-17)13-21-12-15(7-10-19(18)21)20(22)14-5-3-2-4-6-14;21-19(14-6-2-1-3-7-14)15-9-10-17-16(12-15)13-20-11-5-4-8-18(17)20;1-11(2)16(18)13-7-8-15-14-6-4-3-5-12(14)9-17(15)10-13;1-10(16)11-5-6-13-12(8-11)9-15-7-3-2-4-14(13)15;1-10(16)11-6-7-14-13-5-3-2-4-12(13)9-15(14)8-11/h1-19,21H,20H2;2-12H,13H2,1H3;1-12H,13H2;3-8,10-11H,9H2,1-2H3;2*2-8H,9H2,1H3/q6*+1.

What are the key properties of (8-methoxy-6H-pyrido[2,1-a]isoindol-5-ium-3-yl)-phenylmethanone;2-methyl-1-(6H-pyrido[2,1-a]isoindol-5-ium-3-yl)propan-1-one;phenyl-[9-(2-phenylphenyl)-6H-pyrido[2,1-a]isoindol-5-ium-3-yl]methanone;phenyl(6H-pyrido[2,1-a]isoindol-5-ium-8-yl)methanone;1-(6H-pyrido[2,1-a]isoindol-5-ium-3-yl)ethanone;1-(6H-pyrido[2,1-a]isoindol-5-ium-8-yl)ethanone?

(8-methoxy-6H-pyrido[2,1-a]isoindol-5-ium-3-yl)-phenylmethanone;2-methyl-1-(6H-pyrido[2,1-a]isoindol-5-ium-3-yl)propan-1-one;phenyl-[9-(2-phenylphenyl)-6H-pyrido[2,1-a]isoindol-5-ium-3-yl]methanone;phenyl(6H-pyrido[2,1-a]isoindol-5-ium-8-yl)methanone;1-(6H-pyrido[2,1-a]isoindol-5-ium-3-yl)ethanone;1-(6H-pyrido[2,1-a]isoindol-5-ium-8-yl)ethanone has a molecular weight of 1658.02 g/mol, XLogP of 20.30, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (8-methoxy-6H-pyrido[2,1-a]isoindol-5-ium-3-yl)-phenylmethanone;2-methyl-1-(6H-pyrido[2,1-a]isoindol-5-ium-3-yl)propan-1-one;phenyl-[9-(2-phenylphenyl)-6H-pyrido[2,1-a]isoindol-5-ium-3-yl]methanone;phenyl(6H-pyrido[2,1-a]isoindol-5-ium-8-yl)methanone;1-(6H-pyrido[2,1-a]isoindol-5-ium-3-yl)ethanone;1-(6H-pyrido[2,1-a]isoindol-5-ium-8-yl)ethanone is sourced from PubChem (CID 157439383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).