4-(furan-2-yl)-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-methyl-2-phenyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-methyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-pyridin-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-(1H-pyrrol-2-yl)-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-thiophen-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium

C97H78N8O7S+6 — CID 161279114

About 4-(furan-2-yl)-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-methyl-2-phenyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-methyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-pyridin-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-(1H-pyrrol-2-yl)-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-thiophen-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium

4-(furan-2-yl)-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-methyl-2-phenyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-methyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-pyridin-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-(1H-pyrrol-2-yl)-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-thiophen-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium (PubChem CID 161279114) has the molecular formula C97H78N8O7S+6 and a molecular weight of 1499.81 g/mol. Its IUPAC name is 4-(furan-2-yl)-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-methyl-2-phenyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-methyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-pyridin-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-(1H-pyrrol-2-yl)-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-thiophen-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium.

Molecular Properties

• Compound Name: 4-(furan-2-yl)-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-methyl-2-phenyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-methyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-pyridin-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-(1H-pyrrol-2-yl)-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-thiophen-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium
• PubChem CID: 161279114
• Molecular Formula: C97H78N8O7S+6
• Molecular Weight: 1499.81 g/mol
• Exact Mass: 1498.57
• IUPAC Name: 4-(furan-2-yl)-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-methyl-2-phenyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-methyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-pyridin-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-(1H-pyrrol-2-yl)-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-thiophen-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium
• SMILES: Cc1cc(-c2ccccc2)cc2c1OC[n+]1ccccc1-2.Cc1cccc2c1OC[n+]1ccccc1-2.c1c[nH]c(-c2cccc3c2OC[n+]2ccccc2-3)c1.c1ccc(-c2cccc3c2OC[n+]2ccccc2-3)nc1.c1coc(-c2cccc3c2OC[n+]2ccccc2-3)c1.c1csc(-c2cccc3c2OC[n+]2ccccc2-3)c1
• InChI: InChI=1S/C19H16NO.C17H13N2O.C16H13N2O.C16H12NO2.C16H12NOS.C13H12NO/c1-14-11-16(15-7-3-2-4-8-15)12-17-18-9-5-6-10-20(18)13-21-19(14)17;1-3-10-18-15(8-1)13-6-5-7-14-16-9-2-4-11-19(16)12-20-17(13)14;1-2-10-18-11-19-16-12(14-7-4-9-17-14)5-3-6-13(16)15(18)8-1;1-2-9-17-11-19-16-12(14(17)7-1)5-3-6-13(16)15-8-4-10-18-15;1-2-9-17-11-18-16-12(14(17)7-1)5-3-6-13(16)15-8-4-10-19-15;1-10-5-4-6-11-12-7-2-3-8-14(12)9-15-13(10)11/h2-12H,13H2,1H3;1-11H,12H2;1-10,17H,11H2;2*1-10H,11H2;2-8H,9H2,1H3/q6*+1
• InChIKey: GFSFSJHQFVOGPQ-UHFFFAOYSA-N
• XLogP: 19.28
• TPSA: 120.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1499.81
LogP ≤ 5	19.28
H-Bond Donors ≤ 5	1
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-(furan-2-yl)-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-methyl-2-phenyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-methyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-pyridin-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-(1H-pyrrol-2-yl)-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-thiophen-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium?

The IUPAC name of 4-(furan-2-yl)-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-methyl-2-phenyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-methyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-pyridin-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-(1H-pyrrol-2-yl)-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-thiophen-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium (CID 161279114) is 4-(furan-2-yl)-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-methyl-2-phenyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-methyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-pyridin-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-(1H-pyrrol-2-yl)-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-thiophen-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium.

What is the SMILES notation for 4-(furan-2-yl)-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-methyl-2-phenyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-methyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-pyridin-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-(1H-pyrrol-2-yl)-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-thiophen-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium?

The canonical SMILES for 4-(furan-2-yl)-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-methyl-2-phenyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-methyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-pyridin-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-(1H-pyrrol-2-yl)-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-thiophen-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium is Cc1cc(-c2ccccc2)cc2c1OC[n+]1ccccc1-2.Cc1cccc2c1OC[n+]1ccccc1-2.c1c[nH]c(-c2cccc3c2OC[n+]2ccccc2-3)c1.c1ccc(-c2cccc3c2OC[n+]2ccccc2-3)nc1.c1coc(-c2cccc3c2OC[n+]2ccccc2-3)c1.c1csc(-c2cccc3c2OC[n+]2ccccc2-3)c1.

What is the InChIKey of 4-(furan-2-yl)-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-methyl-2-phenyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-methyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-pyridin-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-(1H-pyrrol-2-yl)-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-thiophen-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium?

The InChIKey is GFSFSJHQFVOGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16NO.C17H13N2O.C16H13N2O.C16H12NO2.C16H12NOS.C13H12NO/c1-14-11-16(15-7-3-2-4-8-15)12-17-18-9-5-6-10-20(18)13-21-19(14)17;1-3-10-18-15(8-1)13-6-5-7-14-16-9-2-4-11-19(16)12-20-17(13)14;1-2-10-18-11-19-16-12(14-7-4-9-17-14)5-3-6-13(16)15(18)8-1;1-2-9-17-11-19-16-12(14(17)7-1)5-3-6-13(16)15-8-4-10-18-15;1-2-9-17-11-18-16-12(14(17)7-1)5-3-6-13(16)15-8-4-10-19-15;1-10-5-4-6-11-12-7-2-3-8-14(12)9-15-13(10)11/h2-12H,13H2,1H3;1-11H,12H2;1-10,17H,11H2;2*1-10H,11H2;2-8H,9H2,1H3/q6*+1.

What are the key properties of 4-(furan-2-yl)-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-methyl-2-phenyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-methyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-pyridin-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-(1H-pyrrol-2-yl)-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-thiophen-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium?

4-(furan-2-yl)-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-methyl-2-phenyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-methyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-pyridin-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-(1H-pyrrol-2-yl)-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-thiophen-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium has a molecular weight of 1499.81 g/mol, XLogP of 19.28, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(furan-2-yl)-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-methyl-2-phenyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-methyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-pyridin-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-(1H-pyrrol-2-yl)-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-thiophen-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium is sourced from PubChem (CID 161279114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).