2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)benzo[f]chromen-1-one;2-(4,5-dimethoxy-2-pyridinyl)benzo[f]chromen-1-one;2-([1,3]dioxolo[4,5-c]pyridin-6-yl)benzo[f]chromen-1-one;methyl 2-(1-oxobenzo[f]chromen-2-yl)pyridine-4-carboxylate;methyl 6-(1-oxobenzo[f]chromen-2-yl)pyridine-3-carboxylate;[2-(1-oxobenzo[f]chromen-2-yl)-4-pyridinyl] acetate

C119H78N6O24 — CID 159316077

About 2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)benzo[f]chromen-1-one;2-(4,5-dimethoxy-2-pyridinyl)benzo[f]chromen-1-one;2-([1,3]dioxolo[4,5-c]pyridin-6-yl)benzo[f]chromen-1-one;methyl 2-(1-oxobenzo[f]chromen-2-yl)pyridine-4-carboxylate;methyl 6-(1-oxobenzo[f]chromen-2-yl)pyridine-3-carboxylate;[2-(1-oxobenzo[f]chromen-2-yl)-4-pyridinyl] acetate

2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)benzo[f]chromen-1-one;2-(4,5-dimethoxy-2-pyridinyl)benzo[f]chromen-1-one;2-([1,3]dioxolo[4,5-c]pyridin-6-yl)benzo[f]chromen-1-one;methyl 2-(1-oxobenzo[f]chromen-2-yl)pyridine-4-carboxylate;methyl 6-(1-oxobenzo[f]chromen-2-yl)pyridine-3-carboxylate;[2-(1-oxobenzo[f]chromen-2-yl)-4-pyridinyl] acetate (PubChem CID 159316077) has the molecular formula C119H78N6O24 and a molecular weight of 1975.95 g/mol. Its IUPAC name is 2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)benzo[f]chromen-1-one;2-(4,5-dimethoxy-2-pyridinyl)benzo[f]chromen-1-one;2-([1,3]dioxolo[4,5-c]pyridin-6-yl)benzo[f]chromen-1-one;methyl 2-(1-oxobenzo[f]chromen-2-yl)pyridine-4-carboxylate;methyl 6-(1-oxobenzo[f]chromen-2-yl)pyridine-3-carboxylate;[2-(1-oxobenzo[f]chromen-2-yl)-4-pyridinyl] acetate.

Molecular Properties

• Compound Name: 2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)benzo[f]chromen-1-one;2-(4,5-dimethoxy-2-pyridinyl)benzo[f]chromen-1-one;2-([1,3]dioxolo[4,5-c]pyridin-6-yl)benzo[f]chromen-1-one;methyl 2-(1-oxobenzo[f]chromen-2-yl)pyridine-4-carboxylate;methyl 6-(1-oxobenzo[f]chromen-2-yl)pyridine-3-carboxylate;[2-(1-oxobenzo[f]chromen-2-yl)-4-pyridinyl] acetate
• PubChem CID: 159316077
• Molecular Formula: C119H78N6O24
• Molecular Weight: 1975.95 g/mol
• Exact Mass: 1974.51
• IUPAC Name: 2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)benzo[f]chromen-1-one;2-(4,5-dimethoxy-2-pyridinyl)benzo[f]chromen-1-one;2-([1,3]dioxolo[4,5-c]pyridin-6-yl)benzo[f]chromen-1-one;methyl 2-(1-oxobenzo[f]chromen-2-yl)pyridine-4-carboxylate;methyl 6-(1-oxobenzo[f]chromen-2-yl)pyridine-3-carboxylate;[2-(1-oxobenzo[f]chromen-2-yl)-4-pyridinyl] acetate
• SMILES: CC(=O)Oc1ccnc(-c2coc3ccc4ccccc4c3c2=O)c1.COC(=O)c1ccc(-c2coc3ccc4ccccc4c3c2=O)nc1.COC(=O)c1ccnc(-c2coc3ccc4ccccc4c3c2=O)c1.COc1cnc(-c2coc3ccc4ccccc4c3c2=O)cc1OC.O=c1c(-c2cc3c(cn2)OCCO3)coc2ccc3ccccc3c12.O=c1c(-c2cc3c(cn2)OCO3)coc2ccc3ccccc3c12
• InChI: InChI=1S/C20H13NO4.C20H15NO4.3C20H13NO4.C19H11NO4/c22-20-14(15-9-17-18(10-21-15)24-8-7-23-17)11-25-16-6-5-12-3-1-2-4-13(12)19(16)20;1-23-17-9-15(21-10-18(17)24-2)14-11-25-16-8-7-12-5-3-4-6-13(12)19(16)20(14)22;1-24-20(23)13-6-8-16(21-10-13)15-11-25-17-9-7-12-4-2-3-5-14(12)18(17)19(15)22;1-24-20(23)13-8-9-21-16(10-13)15-11-25-17-7-6-12-4-2-3-5-14(12)18(17)19(15)22;1-12(22)25-14-8-9-21-17(10-14)16-11-24-18-7-6-13-4-2-3-5-15(13)19(18)20(16)23;21-19-13(14-7-16-17(8-20-14)24-10-23-16)9-22-15-6-5-11-3-1-2-4-12(11)18(15)19/h1-6,9-11H,7-8H2;3-11H,1-2H3;3*2-11H,1H3;1-9H,10H2
• InChIKey: LDDMLLPORGWIHO-UHFFFAOYSA-N
• XLogP: 23.06
• TPSA: 392.88 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 11
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1975.95
LogP ≤ 5	23.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)benzo[f]chromen-1-one;2-(4,5-dimethoxy-2-pyridinyl)benzo[f]chromen-1-one;2-([1,3]dioxolo[4,5-c]pyridin-6-yl)benzo[f]chromen-1-one;methyl 2-(1-oxobenzo[f]chromen-2-yl)pyridine-4-carboxylate;methyl 6-(1-oxobenzo[f]chromen-2-yl)pyridine-3-carboxylate;[2-(1-oxobenzo[f]chromen-2-yl)-4-pyridinyl] acetate?

The IUPAC name of 2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)benzo[f]chromen-1-one;2-(4,5-dimethoxy-2-pyridinyl)benzo[f]chromen-1-one;2-([1,3]dioxolo[4,5-c]pyridin-6-yl)benzo[f]chromen-1-one;methyl 2-(1-oxobenzo[f]chromen-2-yl)pyridine-4-carboxylate;methyl 6-(1-oxobenzo[f]chromen-2-yl)pyridine-3-carboxylate;[2-(1-oxobenzo[f]chromen-2-yl)-4-pyridinyl] acetate (CID 159316077) is 2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)benzo[f]chromen-1-one;2-(4,5-dimethoxy-2-pyridinyl)benzo[f]chromen-1-one;2-([1,3]dioxolo[4,5-c]pyridin-6-yl)benzo[f]chromen-1-one;methyl 2-(1-oxobenzo[f]chromen-2-yl)pyridine-4-carboxylate;methyl 6-(1-oxobenzo[f]chromen-2-yl)pyridine-3-carboxylate;[2-(1-oxobenzo[f]chromen-2-yl)-4-pyridinyl] acetate.

What is the SMILES notation for 2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)benzo[f]chromen-1-one;2-(4,5-dimethoxy-2-pyridinyl)benzo[f]chromen-1-one;2-([1,3]dioxolo[4,5-c]pyridin-6-yl)benzo[f]chromen-1-one;methyl 2-(1-oxobenzo[f]chromen-2-yl)pyridine-4-carboxylate;methyl 6-(1-oxobenzo[f]chromen-2-yl)pyridine-3-carboxylate;[2-(1-oxobenzo[f]chromen-2-yl)-4-pyridinyl] acetate?

The canonical SMILES for 2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)benzo[f]chromen-1-one;2-(4,5-dimethoxy-2-pyridinyl)benzo[f]chromen-1-one;2-([1,3]dioxolo[4,5-c]pyridin-6-yl)benzo[f]chromen-1-one;methyl 2-(1-oxobenzo[f]chromen-2-yl)pyridine-4-carboxylate;methyl 6-(1-oxobenzo[f]chromen-2-yl)pyridine-3-carboxylate;[2-(1-oxobenzo[f]chromen-2-yl)-4-pyridinyl] acetate is CC(=O)Oc1ccnc(-c2coc3ccc4ccccc4c3c2=O)c1.COC(=O)c1ccc(-c2coc3ccc4ccccc4c3c2=O)nc1.COC(=O)c1ccnc(-c2coc3ccc4ccccc4c3c2=O)c1.COc1cnc(-c2coc3ccc4ccccc4c3c2=O)cc1OC.O=c1c(-c2cc3c(cn2)OCCO3)coc2ccc3ccccc3c12.O=c1c(-c2cc3c(cn2)OCO3)coc2ccc3ccccc3c12.

What is the InChIKey of 2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)benzo[f]chromen-1-one;2-(4,5-dimethoxy-2-pyridinyl)benzo[f]chromen-1-one;2-([1,3]dioxolo[4,5-c]pyridin-6-yl)benzo[f]chromen-1-one;methyl 2-(1-oxobenzo[f]chromen-2-yl)pyridine-4-carboxylate;methyl 6-(1-oxobenzo[f]chromen-2-yl)pyridine-3-carboxylate;[2-(1-oxobenzo[f]chromen-2-yl)-4-pyridinyl] acetate?

The InChIKey is LDDMLLPORGWIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO4.C20H15NO4.3C20H13NO4.C19H11NO4/c22-20-14(15-9-17-18(10-21-15)24-8-7-23-17)11-25-16-6-5-12-3-1-2-4-13(12)19(16)20;1-23-17-9-15(21-10-18(17)24-2)14-11-25-16-8-7-12-5-3-4-6-13(12)19(16)20(14)22;1-24-20(23)13-6-8-16(21-10-13)15-11-25-17-9-7-12-4-2-3-5-14(12)18(17)19(15)22;1-24-20(23)13-8-9-21-16(10-13)15-11-25-17-7-6-12-4-2-3-5-14(12)18(17)19(15)22;1-12(22)25-14-8-9-21-17(10-14)16-11-24-18-7-6-13-4-2-3-5-15(13)19(18)20(16)23;21-19-13(14-7-16-17(8-20-14)24-10-23-16)9-22-15-6-5-11-3-1-2-4-12(11)18(15)19/h1-6,9-11H,7-8H2;3-11H,1-2H3;3*2-11H,1H3;1-9H,10H2.

What are the key properties of 2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)benzo[f]chromen-1-one;2-(4,5-dimethoxy-2-pyridinyl)benzo[f]chromen-1-one;2-([1,3]dioxolo[4,5-c]pyridin-6-yl)benzo[f]chromen-1-one;methyl 2-(1-oxobenzo[f]chromen-2-yl)pyridine-4-carboxylate;methyl 6-(1-oxobenzo[f]chromen-2-yl)pyridine-3-carboxylate;[2-(1-oxobenzo[f]chromen-2-yl)-4-pyridinyl] acetate?

2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)benzo[f]chromen-1-one;2-(4,5-dimethoxy-2-pyridinyl)benzo[f]chromen-1-one;2-([1,3]dioxolo[4,5-c]pyridin-6-yl)benzo[f]chromen-1-one;methyl 2-(1-oxobenzo[f]chromen-2-yl)pyridine-4-carboxylate;methyl 6-(1-oxobenzo[f]chromen-2-yl)pyridine-3-carboxylate;[2-(1-oxobenzo[f]chromen-2-yl)-4-pyridinyl] acetate has a molecular weight of 1975.95 g/mol, XLogP of 23.06, 11 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)benzo[f]chromen-1-one;2-(4,5-dimethoxy-2-pyridinyl)benzo[f]chromen-1-one;2-([1,3]dioxolo[4,5-c]pyridin-6-yl)benzo[f]chromen-1-one;methyl 2-(1-oxobenzo[f]chromen-2-yl)pyridine-4-carboxylate;methyl 6-(1-oxobenzo[f]chromen-2-yl)pyridine-3-carboxylate;[2-(1-oxobenzo[f]chromen-2-yl)-4-pyridinyl] acetate is sourced from PubChem (CID 159316077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).