7,8-dihydroxy-2-pyridin-2-ylbenzo[f]chromen-1-one;9,10-dihydroxy-2-pyridin-2-ylbenzo[f]chromen-1-one;9,10-dimethoxy-2-pyridin-2-ylbenzo[f]chromen-1-one;7,8-dimethyl-2-pyridin-2-ylbenzo[f]chromen-1-one;9-methoxy-8-methyl-2-pyridin-2-ylbenzo[f]chromen-1-one;9-pyridin-2-yl-2,3-dihydrochromeno[5,6-h][1,4]benzodioxin-10-one

C116H80N6O21 — CID 161187807

IUPAC7,8-dihydroxy-2-pyridin-2-ylbenzo[f]chromen-1-one;9,10-dihydroxy-2-pyridin-2-ylbenzo[f]chromen-1-one;9,10-dimethoxy-2-pyridin-2-ylbenzo[f]chromen-1-one;7,8-dimethyl-2-pyridin-2-ylbenzo[f]chromen-1-one;9-methoxy-8-methyl-2-pyridin-2-ylbenzo[f]chromen-1-one;9-pyridin-2-yl-2,3-dihydrochromeno[5,6-h][1,4]benzodioxin-10-one
SMILESCOc1cc2c(ccc3occ(-c4ccccn4)c(=O)c32)cc1C.COc1ccc2ccc3occ(-c4ccccn4)c(=O)c3c2c1OC.Cc1ccc2c(ccc3occ(-c4ccccn4)c(=O)c32)c1C.O=c1c(-c2ccccn2)coc2ccc3c(O)c(O)ccc3c12.O=c1c(-c2ccccn2)coc2ccc3c4c(ccc3c12)OCCO4.O=c1c(-c2ccccn2)coc2ccc3ccc(O)c(O)c3c12
InChIInChI=1S/C20H13NO4.C20H15NO4.C20H15NO3.C20H15NO2.2C18H11NO4/c22-19-14(15-3-1-2-8-21-15)11-25-16-6-5-13-12(18(16)19)4-7-17-20(13)24-10-9-23-17;1-23-16-9-7-12-6-8-15-18(17(12)20(16)24-2)19(22)13(11-25-15)14-5-3-4-10-21-14;1-12-9-13-6-7-17-19(14(13)10-18(12)23-2)20(22)15(11-24-17)16-5-3-4-8-21-16;1-12-6-7-15-14(13(12)2)8-9-18-19(15)20(22)16(11-23-18)17-5-3-4-10-21-17;20-14-6-4-10-11(17(14)21)5-7-15-16(10)18(22)12(9-23-15)13-3-1-2-8-19-13;20-13-6-4-10-5-7-14-16(15(10)18(13)22)17(21)11(9-23-14)12-3-1-2-8-19-12/h1-8,11H,9-10H2;3-11H,1-2H3;3-11H,1-2H3;3-11H,1-2H3;1-9,20-21H;1-9,20,22H
InChIKeyUTHXGPZWBLCDMN-UHFFFAOYSA-N
MW1893.94 g/mol
LogP23.59
Rot. Bonds9

About 7,8-dihydroxy-2-pyridin-2-ylbenzo[f]chromen-1-one;9,10-dihydroxy-2-pyridin-2-ylbenzo[f]chromen-1-one;9,10-dimethoxy-2-pyridin-2-ylbenzo[f]chromen-1-one;7,8-dimethyl-2-pyridin-2-ylbenzo[f]chromen-1-one;9-methoxy-8-methyl-2-pyridin-2-ylbenzo[f]chromen-1-one;9-pyridin-2-yl-2,3-dihydrochromeno[5,6-h][1,4]benzodioxin-10-one

7,8-dihydroxy-2-pyridin-2-ylbenzo[f]chromen-1-one;9,10-dihydroxy-2-pyridin-2-ylbenzo[f]chromen-1-one;9,10-dimethoxy-2-pyridin-2-ylbenzo[f]chromen-1-one;7,8-dimethyl-2-pyridin-2-ylbenzo[f]chromen-1-one;9-methoxy-8-methyl-2-pyridin-2-ylbenzo[f]chromen-1-one;9-pyridin-2-yl-2,3-dihydrochromeno[5,6-h][1,4]benzodioxin-10-one (PubChem CID 161187807) has the molecular formula C116H80N6O21 and a molecular weight of 1893.94 g/mol. Its IUPAC name is 7,8-dihydroxy-2-pyridin-2-ylbenzo[f]chromen-1-one;9,10-dihydroxy-2-pyridin-2-ylbenzo[f]chromen-1-one;9,10-dimethoxy-2-pyridin-2-ylbenzo[f]chromen-1-one;7,8-dimethyl-2-pyridin-2-ylbenzo[f]chromen-1-one;9-methoxy-8-methyl-2-pyridin-2-ylbenzo[f]chromen-1-one;9-pyridin-2-yl-2,3-dihydrochromeno[5,6-h][1,4]benzodioxin-10-one.

Molecular Properties

Compound Name7,8-dihydroxy-2-pyridin-2-ylbenzo[f]chromen-1-one;9,10-dihydroxy-2-pyridin-2-ylbenzo[f]chromen-1-one;9,10-dimethoxy-2-pyridin-2-ylbenzo[f]chromen-1-one;7,8-dimethyl-2-pyridin-2-ylbenzo[f]chromen-1-one;9-methoxy-8-methyl-2-pyridin-2-ylbenzo[f]chromen-1-one;9-pyridin-2-yl-2,3-dihydrochromeno[5,6-h][1,4]benzodioxin-10-one
PubChem CID161187807
Molecular FormulaC116H80N6O21
Molecular Weight1893.94 g/mol
Exact Mass1892.54
IUPAC Name7,8-dihydroxy-2-pyridin-2-ylbenzo[f]chromen-1-one;9,10-dihydroxy-2-pyridin-2-ylbenzo[f]chromen-1-one;9,10-dimethoxy-2-pyridin-2-ylbenzo[f]chromen-1-one;7,8-dimethyl-2-pyridin-2-ylbenzo[f]chromen-1-one;9-methoxy-8-methyl-2-pyridin-2-ylbenzo[f]chromen-1-one;9-pyridin-2-yl-2,3-dihydrochromeno[5,6-h][1,4]benzodioxin-10-one
SMILESCOc1cc2c(ccc3occ(-c4ccccn4)c(=O)c32)cc1C.COc1ccc2ccc3occ(-c4ccccn4)c(=O)c3c2c1OC.Cc1ccc2c(ccc3occ(-c4ccccn4)c(=O)c32)c1C.O=c1c(-c2ccccn2)coc2ccc3c(O)c(O)ccc3c12.O=c1c(-c2ccccn2)coc2ccc3c4c(ccc3c12)OCCO4.O=c1c(-c2ccccn2)coc2ccc3ccc(O)c(O)c3c12
InChIInChI=1S/C20H13NO4.C20H15NO4.C20H15NO3.C20H15NO2.2C18H11NO4/c22-19-14(15-3-1-2-8-21-15)11-25-16-6-5-13-12(18(16)19)4-7-17-20(13)24-10-9-23-17;1-23-16-9-7-12-6-8-15-18(17(12)20(16)24-2)19(22)13(11-25-15)14-5-3-4-10-21-14;1-12-9-13-6-7-17-19(14(13)10-18(12)23-2)20(22)15(11-24-17)16-5-3-4-8-21-16;1-12-6-7-15-14(13(12)2)8-9-18-19(15)20(22)16(11-23-18)17-5-3-4-10-21-17;20-14-6-4-10-11(17(14)21)5-7-15-16(10)18(22)12(9-23-15)13-3-1-2-8-19-13;20-13-6-4-10-5-7-14-16(15(10)18(13)22)17(21)11(9-23-14)12-3-1-2-8-19-12/h1-8,11H,9-10H2;3-11H,1-2H3;3-11H,1-2H3;3-11H,1-2H3;1-9,20-21H;1-9,20,22H
InChIKeyUTHXGPZWBLCDMN-UHFFFAOYSA-N
XLogP23.59
TPSA385.67 Ų
H-Bond Donors4
H-Bond Acceptors27
Rotatable Bonds9
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001893.94
LogP ≤ 523.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7,8-dihydroxy-2-pyridin-2-ylbenzo[f]chromen-1-one;9,10-dihydroxy-2-pyridin-2-ylbenzo[f]chromen-1-one;9,10-dimethoxy-2-pyridin-2-ylbenzo[f]chromen-1-one;7,8-dimethyl-2-pyridin-2-ylbenzo[f]chromen-1-one;9-methoxy-8-methyl-2-pyridin-2-ylbenzo[f]chromen-1-one;9-pyridin-2-yl-2,3-dihydrochromeno[5,6-h][1,4]benzodioxin-10-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7,8-dihydroxy-2-pyridin-2-ylbenzo[f]chromen-1-one;9,10-dihydroxy-2-pyridin-2-ylbenzo[f]chromen-1-one;9,10-dimethoxy-2-pyridin-2-ylbenzo[f]chromen-1-one;7,8-dimethyl-2-pyridin-2-ylbenzo[f]chromen-1-one;9-methoxy-8-methyl-2-pyridin-2-ylbenzo[f]chromen-1-one;9-pyridin-2-yl-2,3-dihydrochromeno[5,6-h][1,4]benzodioxin-10-one?
The IUPAC name of 7,8-dihydroxy-2-pyridin-2-ylbenzo[f]chromen-1-one;9,10-dihydroxy-2-pyridin-2-ylbenzo[f]chromen-1-one;9,10-dimethoxy-2-pyridin-2-ylbenzo[f]chromen-1-one;7,8-dimethyl-2-pyridin-2-ylbenzo[f]chromen-1-one;9-methoxy-8-methyl-2-pyridin-2-ylbenzo[f]chromen-1-one;9-pyridin-2-yl-2,3-dihydrochromeno[5,6-h][1,4]benzodioxin-10-one (CID 161187807) is 7,8-dihydroxy-2-pyridin-2-ylbenzo[f]chromen-1-one;9,10-dihydroxy-2-pyridin-2-ylbenzo[f]chromen-1-one;9,10-dimethoxy-2-pyridin-2-ylbenzo[f]chromen-1-one;7,8-dimethyl-2-pyridin-2-ylbenzo[f]chromen-1-one;9-methoxy-8-methyl-2-pyridin-2-ylbenzo[f]chromen-1-one;9-pyridin-2-yl-2,3-dihydrochromeno[5,6-h][1,4]benzodioxin-10-one.
What is the SMILES notation for 7,8-dihydroxy-2-pyridin-2-ylbenzo[f]chromen-1-one;9,10-dihydroxy-2-pyridin-2-ylbenzo[f]chromen-1-one;9,10-dimethoxy-2-pyridin-2-ylbenzo[f]chromen-1-one;7,8-dimethyl-2-pyridin-2-ylbenzo[f]chromen-1-one;9-methoxy-8-methyl-2-pyridin-2-ylbenzo[f]chromen-1-one;9-pyridin-2-yl-2,3-dihydrochromeno[5,6-h][1,4]benzodioxin-10-one?
The canonical SMILES for 7,8-dihydroxy-2-pyridin-2-ylbenzo[f]chromen-1-one;9,10-dihydroxy-2-pyridin-2-ylbenzo[f]chromen-1-one;9,10-dimethoxy-2-pyridin-2-ylbenzo[f]chromen-1-one;7,8-dimethyl-2-pyridin-2-ylbenzo[f]chromen-1-one;9-methoxy-8-methyl-2-pyridin-2-ylbenzo[f]chromen-1-one;9-pyridin-2-yl-2,3-dihydrochromeno[5,6-h][1,4]benzodioxin-10-one is COc1cc2c(ccc3occ(-c4ccccn4)c(=O)c32)cc1C.COc1ccc2ccc3occ(-c4ccccn4)c(=O)c3c2c1OC.Cc1ccc2c(ccc3occ(-c4ccccn4)c(=O)c32)c1C.O=c1c(-c2ccccn2)coc2ccc3c(O)c(O)ccc3c12.O=c1c(-c2ccccn2)coc2ccc3c4c(ccc3c12)OCCO4.O=c1c(-c2ccccn2)coc2ccc3ccc(O)c(O)c3c12.
What is the InChIKey of 7,8-dihydroxy-2-pyridin-2-ylbenzo[f]chromen-1-one;9,10-dihydroxy-2-pyridin-2-ylbenzo[f]chromen-1-one;9,10-dimethoxy-2-pyridin-2-ylbenzo[f]chromen-1-one;7,8-dimethyl-2-pyridin-2-ylbenzo[f]chromen-1-one;9-methoxy-8-methyl-2-pyridin-2-ylbenzo[f]chromen-1-one;9-pyridin-2-yl-2,3-dihydrochromeno[5,6-h][1,4]benzodioxin-10-one?
The InChIKey is UTHXGPZWBLCDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO4.C20H15NO4.C20H15NO3.C20H15NO2.2C18H11NO4/c22-19-14(15-3-1-2-8-21-15)11-25-16-6-5-13-12(18(16)19)4-7-17-20(13)24-10-9-23-17;1-23-16-9-7-12-6-8-15-18(17(12)20(16)24-2)19(22)13(11-25-15)14-5-3-4-10-21-14;1-12-9-13-6-7-17-19(14(13)10-18(12)23-2)20(22)15(11-24-17)16-5-3-4-8-21-16;1-12-6-7-15-14(13(12)2)8-9-18-19(15)20(22)16(11-23-18)17-5-3-4-10-21-17;20-14-6-4-10-11(17(14)21)5-7-15-16(10)18(22)12(9-23-15)13-3-1-2-8-19-13;20-13-6-4-10-5-7-14-16(15(10)18(13)22)17(21)11(9-23-14)12-3-1-2-8-19-12/h1-8,11H,9-10H2;3-11H,1-2H3;3-11H,1-2H3;3-11H,1-2H3;1-9,20-21H;1-9,20,22H.
What are the key properties of 7,8-dihydroxy-2-pyridin-2-ylbenzo[f]chromen-1-one;9,10-dihydroxy-2-pyridin-2-ylbenzo[f]chromen-1-one;9,10-dimethoxy-2-pyridin-2-ylbenzo[f]chromen-1-one;7,8-dimethyl-2-pyridin-2-ylbenzo[f]chromen-1-one;9-methoxy-8-methyl-2-pyridin-2-ylbenzo[f]chromen-1-one;9-pyridin-2-yl-2,3-dihydrochromeno[5,6-h][1,4]benzodioxin-10-one?
7,8-dihydroxy-2-pyridin-2-ylbenzo[f]chromen-1-one;9,10-dihydroxy-2-pyridin-2-ylbenzo[f]chromen-1-one;9,10-dimethoxy-2-pyridin-2-ylbenzo[f]chromen-1-one;7,8-dimethyl-2-pyridin-2-ylbenzo[f]chromen-1-one;9-methoxy-8-methyl-2-pyridin-2-ylbenzo[f]chromen-1-one;9-pyridin-2-yl-2,3-dihydrochromeno[5,6-h][1,4]benzodioxin-10-one has a molecular weight of 1893.94 g/mol, XLogP of 23.59, 9 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydroxy-2-pyridin-2-ylbenzo[f]chromen-1-one;9,10-dihydroxy-2-pyridin-2-ylbenzo[f]chromen-1-one;9,10-dimethoxy-2-pyridin-2-ylbenzo[f]chromen-1-one;7,8-dimethyl-2-pyridin-2-ylbenzo[f]chromen-1-one;9-methoxy-8-methyl-2-pyridin-2-ylbenzo[f]chromen-1-one;9-pyridin-2-yl-2,3-dihydrochromeno[5,6-h][1,4]benzodioxin-10-one is sourced from PubChem (CID 161187807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).