4,8-dimethyl-2-phenyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;2-methoxy-4,8-dimethyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-methyl-6,13b-dihydroisoquinolino[2,1-c][1,3]benzoxazine;8-methyl-6,11b-dihydroquinolino[1,2-c][1,3]benzoxazine;4-methyl-6H-isoquinolino[2,3-c][1,3]benzoxazin-7-ium;2,4,8-trimethyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium

C101H94N6O7+4 — CID 158802420

About 4,8-dimethyl-2-phenyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;2-methoxy-4,8-dimethyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-methyl-6,13b-dihydroisoquinolino[2,1-c][1,3]benzoxazine;8-methyl-6,11b-dihydroquinolino[1,2-c][1,3]benzoxazine;4-methyl-6H-isoquinolino[2,3-c][1,3]benzoxazin-7-ium;2,4,8-trimethyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium

4,8-dimethyl-2-phenyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;2-methoxy-4,8-dimethyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-methyl-6,13b-dihydroisoquinolino[2,1-c][1,3]benzoxazine;8-methyl-6,11b-dihydroquinolino[1,2-c][1,3]benzoxazine;4-methyl-6H-isoquinolino[2,3-c][1,3]benzoxazin-7-ium;2,4,8-trimethyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium (PubChem CID 158802420) has the molecular formula C101H94N6O7+4 and a molecular weight of 1503.90 g/mol. Its IUPAC name is 4,8-dimethyl-2-phenyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;2-methoxy-4,8-dimethyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-methyl-6,13b-dihydroisoquinolino[2,1-c][1,3]benzoxazine;8-methyl-6,11b-dihydroquinolino[1,2-c][1,3]benzoxazine;4-methyl-6H-isoquinolino[2,3-c][1,3]benzoxazin-7-ium;2,4,8-trimethyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium.

Molecular Properties

• Compound Name: 4,8-dimethyl-2-phenyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;2-methoxy-4,8-dimethyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-methyl-6,13b-dihydroisoquinolino[2,1-c][1,3]benzoxazine;8-methyl-6,11b-dihydroquinolino[1,2-c][1,3]benzoxazine;4-methyl-6H-isoquinolino[2,3-c][1,3]benzoxazin-7-ium;2,4,8-trimethyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium
• PubChem CID: 158802420
• Molecular Formula: C101H94N6O7+4
• Molecular Weight: 1503.90 g/mol
• Exact Mass: 1502.72
• IUPAC Name: 4,8-dimethyl-2-phenyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;2-methoxy-4,8-dimethyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-methyl-6,13b-dihydroisoquinolino[2,1-c][1,3]benzoxazine;8-methyl-6,11b-dihydroquinolino[1,2-c][1,3]benzoxazine;4-methyl-6H-isoquinolino[2,3-c][1,3]benzoxazin-7-ium;2,4,8-trimethyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium
• SMILES: COc1cc(C)c2c(c1)-c1cccc(C)[n+]1CO2.Cc1cc(-c2ccccc2)cc2c1OC[n+]1c(C)cccc1-2.Cc1cc(C)c2c(c1)-c1cccc(C)[n+]1CO2.Cc1cccc2c1OCN1C=Cc3ccccc3C21.Cc1cccc2c1OCN1c3ccccc3C=CC21.Cc1cccc2c1OC[n+]1cc3ccccc3cc1-2
• InChI: InChI=1S/C20H18NO.C17H15NO.C17H14NO.C17H15NO.C15H16NO2.C15H16NO/c1-14-11-17(16-8-4-3-5-9-16)12-18-19-10-6-7-15(2)21(19)13-22-20(14)18;1-12-5-4-7-14-16-10-9-13-6-2-3-8-15(13)18(16)11-19-17(12)14;1-12-5-4-8-15-16-9-13-6-2-3-7-14(13)10-18(16)11-19-17(12)15;1-12-5-4-8-15-16-14-7-3-2-6-13(14)9-10-18(16)11-19-17(12)15;1-10-7-12(17-3)8-13-14-6-4-5-11(2)16(14)9-18-15(10)13;1-10-7-11(2)15-13(8-10)14-6-4-5-12(3)16(14)9-17-15/h3-12H,13H2,1-2H3;2-10,16H,11H2,1H3;2-10H,11H2,1H3;2-10,16H,11H2,1H3;4-8H,9H2,1-3H3;4-8H,9H2,1-3H3/q+1;;+1;;2*+1
• InChIKey: KRISYHKLZFVGQF-UHFFFAOYSA-N
• XLogP: 20.90
• TPSA: 86.61 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 2
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1503.90
LogP ≤ 5	20.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-2-phenyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;2-methoxy-4,8-dimethyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-methyl-6,13b-dihydroisoquinolino[2,1-c][1,3]benzoxazine;8-methyl-6,11b-dihydroquinolino[1,2-c][1,3]benzoxazine;4-methyl-6H-isoquinolino[2,3-c][1,3]benzoxazin-7-ium;2,4,8-trimethyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium?

The IUPAC name of 4,8-dimethyl-2-phenyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;2-methoxy-4,8-dimethyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-methyl-6,13b-dihydroisoquinolino[2,1-c][1,3]benzoxazine;8-methyl-6,11b-dihydroquinolino[1,2-c][1,3]benzoxazine;4-methyl-6H-isoquinolino[2,3-c][1,3]benzoxazin-7-ium;2,4,8-trimethyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium (CID 158802420) is 4,8-dimethyl-2-phenyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;2-methoxy-4,8-dimethyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-methyl-6,13b-dihydroisoquinolino[2,1-c][1,3]benzoxazine;8-methyl-6,11b-dihydroquinolino[1,2-c][1,3]benzoxazine;4-methyl-6H-isoquinolino[2,3-c][1,3]benzoxazin-7-ium;2,4,8-trimethyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium.

What is the SMILES notation for 4,8-dimethyl-2-phenyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;2-methoxy-4,8-dimethyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-methyl-6,13b-dihydroisoquinolino[2,1-c][1,3]benzoxazine;8-methyl-6,11b-dihydroquinolino[1,2-c][1,3]benzoxazine;4-methyl-6H-isoquinolino[2,3-c][1,3]benzoxazin-7-ium;2,4,8-trimethyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium?

The canonical SMILES for 4,8-dimethyl-2-phenyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;2-methoxy-4,8-dimethyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-methyl-6,13b-dihydroisoquinolino[2,1-c][1,3]benzoxazine;8-methyl-6,11b-dihydroquinolino[1,2-c][1,3]benzoxazine;4-methyl-6H-isoquinolino[2,3-c][1,3]benzoxazin-7-ium;2,4,8-trimethyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium is COc1cc(C)c2c(c1)-c1cccc(C)[n+]1CO2.Cc1cc(-c2ccccc2)cc2c1OC[n+]1c(C)cccc1-2.Cc1cc(C)c2c(c1)-c1cccc(C)[n+]1CO2.Cc1cccc2c1OCN1C=Cc3ccccc3C21.Cc1cccc2c1OCN1c3ccccc3C=CC21.Cc1cccc2c1OC[n+]1cc3ccccc3cc1-2.

What is the InChIKey of 4,8-dimethyl-2-phenyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;2-methoxy-4,8-dimethyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-methyl-6,13b-dihydroisoquinolino[2,1-c][1,3]benzoxazine;8-methyl-6,11b-dihydroquinolino[1,2-c][1,3]benzoxazine;4-methyl-6H-isoquinolino[2,3-c][1,3]benzoxazin-7-ium;2,4,8-trimethyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium?

The InChIKey is KRISYHKLZFVGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18NO.C17H15NO.C17H14NO.C17H15NO.C15H16NO2.C15H16NO/c1-14-11-17(16-8-4-3-5-9-16)12-18-19-10-6-7-15(2)21(19)13-22-20(14)18;1-12-5-4-7-14-16-10-9-13-6-2-3-8-15(13)18(16)11-19-17(12)14;1-12-5-4-8-15-16-9-13-6-2-3-7-14(13)10-18(16)11-19-17(12)15;1-12-5-4-8-15-16-14-7-3-2-6-13(14)9-10-18(16)11-19-17(12)15;1-10-7-12(17-3)8-13-14-6-4-5-11(2)16(14)9-18-15(10)13;1-10-7-11(2)15-13(8-10)14-6-4-5-12(3)16(14)9-17-15/h3-12H,13H2,1-2H3;2-10,16H,11H2,1H3;2-10H,11H2,1H3;2-10,16H,11H2,1H3;4-8H,9H2,1-3H3;4-8H,9H2,1-3H3/q+1;;+1;;2*+1.

What are the key properties of 4,8-dimethyl-2-phenyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;2-methoxy-4,8-dimethyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-methyl-6,13b-dihydroisoquinolino[2,1-c][1,3]benzoxazine;8-methyl-6,11b-dihydroquinolino[1,2-c][1,3]benzoxazine;4-methyl-6H-isoquinolino[2,3-c][1,3]benzoxazin-7-ium;2,4,8-trimethyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium?

4,8-dimethyl-2-phenyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;2-methoxy-4,8-dimethyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-methyl-6,13b-dihydroisoquinolino[2,1-c][1,3]benzoxazine;8-methyl-6,11b-dihydroquinolino[1,2-c][1,3]benzoxazine;4-methyl-6H-isoquinolino[2,3-c][1,3]benzoxazin-7-ium;2,4,8-trimethyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium has a molecular weight of 1503.90 g/mol, XLogP of 20.90, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4,8-dimethyl-2-phenyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;2-methoxy-4,8-dimethyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-methyl-6,13b-dihydroisoquinolino[2,1-c][1,3]benzoxazine;8-methyl-6,11b-dihydroquinolino[1,2-c][1,3]benzoxazine;4-methyl-6H-isoquinolino[2,3-c][1,3]benzoxazin-7-ium;2,4,8-trimethyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium is sourced from PubChem (CID 158802420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).