sodium;dibenzyl [2-[3-bis(phenylmethoxy)phosphoryloxyphenyl]-6-pyrrolidin-1-ylquinolin-4-yl] phosphate;dibenzyl dimethylphosphoryl phosphate;dibenzyl [3-(4-oxo-6-pyrrolidin-1-yl-1H-quinolin-2-yl)phenyl] phosphate;hydride;2-(3-hydroxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one;methanol;oxolane;[3-(4-oxo-6-pyrrolidin-1-yl-1H-quinolin-2-yl)phenyl] dihydrogen phosphate

C140H149N8NaO28P6 — CID 161240955

IUPACsodium;dibenzyl [2-[3-bis(phenylmethoxy)phosphoryloxyphenyl]-6-pyrrolidin-1-ylquinolin-4-yl] phosphate;dibenzyl dimethylphosphoryl phosphate;dibenzyl [3-(4-oxo-6-pyrrolidin-1-yl-1H-quinolin-2-yl)phenyl] phosphate;hydride;2-(3-hydroxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one;methanol;oxolane;[3-(4-oxo-6-pyrrolidin-1-yl-1H-quinolin-2-yl)phenyl] dihydrogen phosphate
SMILESC1CCOC1.CO.CO.CP(C)(=O)OP(=O)(OCc1ccccc1)OCc1ccccc1.O=P(OCc1ccccc1)(OCc1ccccc1)Oc1cccc(-c2cc(OP(=O)(OCc3ccccc3)OCc3ccccc3)c3cc(N4CCCC4)ccc3n2)c1.O=c1cc(-c2cccc(O)c2)[nH]c2ccc(N3CCCC3)cc12.O=c1cc(-c2cccc(OP(=O)(O)O)c2)[nH]c2ccc(N3CCCC3)cc12.O=c1cc(-c2cccc(OP(=O)(OCc3ccccc3)OCc3ccccc3)c2)[nH]c2ccc(N3CCCC3)cc12.[H-].[Na+]
InChIInChI=1S/C47H44N2O8P2.C33H31N2O5P.C19H19N2O5P.C19H18N2O2.C16H20O5P2.C4H8O.2CH4O.Na.H/c50-58(52-33-37-16-5-1-6-17-37,53-34-38-18-7-2-8-19-38)56-43-25-15-24-41(30-43)46-32-47(44-31-42(26-27-45(44)48-46)49-28-13-14-29-49)57-59(51,54-35-39-20-9-3-10-21-39)55-36-40-22-11-4-12-23-40;36-33-22-32(34-31-17-16-28(21-30(31)33)35-18-7-8-19-35)27-14-9-15-29(20-27)40-41(37,38-23-25-10-3-1-4-11-25)39-24-26-12-5-2-6-13-26;22-19-12-18(13-4-3-5-15(10-13)26-27(23,24)25)20-17-7-6-14(11-16(17)19)21-8-1-2-9-21;22-15-5-3-4-13(10-15)18-12-19(23)16-11-14(6-7-17(16)20-18)21-8-1-2-9-21;1-22(2,17)21-23(18,19-13-15-9-5-3-6-10-15)20-14-16-11-7-4-8-12-16;1-2-4-5-3-1;2*1-2;;/h1-12,15-27,30-32H,13-14,28-29,33-36H2;1-6,9-17,20-22H,7-8,18-19,23-24H2,(H,34,36);3-7,10-12H,1-2,8-9H2,(H,20,22)(H2,23,24,25);3-7,10-12,22H,1-2,8-9H2,(H,20,23);3-12H,13-14H2,1-2H3;1-4H2;2*2H,1H3;;/q;;;;;;;;+1;-1
InChIKeyFYQVKBLAPCFBSJ-UHFFFAOYSA-N
MW2600.59 g/mol
LogP29.04
Rot. Bonds42

About sodium;dibenzyl [2-[3-bis(phenylmethoxy)phosphoryloxyphenyl]-6-pyrrolidin-1-ylquinolin-4-yl] phosphate;dibenzyl dimethylphosphoryl phosphate;dibenzyl [3-(4-oxo-6-pyrrolidin-1-yl-1H-quinolin-2-yl)phenyl] phosphate;hydride;2-(3-hydroxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one;methanol;oxolane;[3-(4-oxo-6-pyrrolidin-1-yl-1H-quinolin-2-yl)phenyl] dihydrogen phosphate

sodium;dibenzyl [2-[3-bis(phenylmethoxy)phosphoryloxyphenyl]-6-pyrrolidin-1-ylquinolin-4-yl] phosphate;dibenzyl dimethylphosphoryl phosphate;dibenzyl [3-(4-oxo-6-pyrrolidin-1-yl-1H-quinolin-2-yl)phenyl] phosphate;hydride;2-(3-hydroxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one;methanol;oxolane;[3-(4-oxo-6-pyrrolidin-1-yl-1H-quinolin-2-yl)phenyl] dihydrogen phosphate (PubChem CID 161240955) has the molecular formula C140H149N8NaO28P6 and a molecular weight of 2600.59 g/mol. Its IUPAC name is sodium;dibenzyl [2-[3-bis(phenylmethoxy)phosphoryloxyphenyl]-6-pyrrolidin-1-ylquinolin-4-yl] phosphate;dibenzyl dimethylphosphoryl phosphate;dibenzyl [3-(4-oxo-6-pyrrolidin-1-yl-1H-quinolin-2-yl)phenyl] phosphate;hydride;2-(3-hydroxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one;methanol;oxolane;[3-(4-oxo-6-pyrrolidin-1-yl-1H-quinolin-2-yl)phenyl] dihydrogen phosphate.

Molecular Properties

Compound Namesodium;dibenzyl [2-[3-bis(phenylmethoxy)phosphoryloxyphenyl]-6-pyrrolidin-1-ylquinolin-4-yl] phosphate;dibenzyl dimethylphosphoryl phosphate;dibenzyl [3-(4-oxo-6-pyrrolidin-1-yl-1H-quinolin-2-yl)phenyl] phosphate;hydride;2-(3-hydroxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one;methanol;oxolane;[3-(4-oxo-6-pyrrolidin-1-yl-1H-quinolin-2-yl)phenyl] dihydrogen phosphate
PubChem CID161240955
Molecular FormulaC140H149N8NaO28P6
Molecular Weight2600.59 g/mol
Exact Mass2598.88
IUPAC Namesodium;dibenzyl [2-[3-bis(phenylmethoxy)phosphoryloxyphenyl]-6-pyrrolidin-1-ylquinolin-4-yl] phosphate;dibenzyl dimethylphosphoryl phosphate;dibenzyl [3-(4-oxo-6-pyrrolidin-1-yl-1H-quinolin-2-yl)phenyl] phosphate;hydride;2-(3-hydroxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one;methanol;oxolane;[3-(4-oxo-6-pyrrolidin-1-yl-1H-quinolin-2-yl)phenyl] dihydrogen phosphate
SMILESC1CCOC1.CO.CO.CP(C)(=O)OP(=O)(OCc1ccccc1)OCc1ccccc1.O=P(OCc1ccccc1)(OCc1ccccc1)Oc1cccc(-c2cc(OP(=O)(OCc3ccccc3)OCc3ccccc3)c3cc(N4CCCC4)ccc3n2)c1.O=c1cc(-c2cccc(O)c2)[nH]c2ccc(N3CCCC3)cc12.O=c1cc(-c2cccc(OP(=O)(O)O)c2)[nH]c2ccc(N3CCCC3)cc12.O=c1cc(-c2cccc(OP(=O)(OCc3ccccc3)OCc3ccccc3)c2)[nH]c2ccc(N3CCCC3)cc12.[H-].[Na+]
InChIInChI=1S/C47H44N2O8P2.C33H31N2O5P.C19H19N2O5P.C19H18N2O2.C16H20O5P2.C4H8O.2CH4O.Na.H/c50-58(52-33-37-16-5-1-6-17-37,53-34-38-18-7-2-8-19-38)56-43-25-15-24-41(30-43)46-32-47(44-31-42(26-27-45(44)48-46)49-28-13-14-29-49)57-59(51,54-35-39-20-9-3-10-21-39)55-36-40-22-11-4-12-23-40;36-33-22-32(34-31-17-16-28(21-30(31)33)35-18-7-8-19-35)27-14-9-15-29(20-27)40-41(37,38-23-25-10-3-1-4-11-25)39-24-26-12-5-2-6-13-26;22-19-12-18(13-4-3-5-15(10-13)26-27(23,24)25)20-17-7-6-14(11-16(17)19)21-8-1-2-9-21;22-15-5-3-4-13(10-15)18-12-19(23)16-11-14(6-7-17(16)20-18)21-8-1-2-9-21;1-22(2,17)21-23(18,19-13-15-9-5-3-6-10-15)20-14-16-11-7-4-8-12-16;1-2-4-5-3-1;2*1-2;;/h1-12,15-27,30-32H,13-14,28-29,33-36H2;1-6,9-17,20-22H,7-8,18-19,23-24H2,(H,34,36);3-7,10-12H,1-2,8-9H2,(H,20,22)(H2,23,24,25);3-7,10-12,22H,1-2,8-9H2,(H,20,23);3-12H,13-14H2,1-2H3;1-4H2;2*2H,1H3;;/q;;;;;;;;+1;-1
InChIKeyFYQVKBLAPCFBSJ-UHFFFAOYSA-N
XLogP29.04
TPSA457.22 Ų
H-Bond Donors8
H-Bond Acceptors31
Rotatable Bonds42
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002600.59
LogP ≤ 529.04
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze sodium;dibenzyl [2-[3-bis(phenylmethoxy)phosphoryloxyphenyl]-6-pyrrolidin-1-ylquinolin-4-yl] phosphate;dibenzyl dimethylphosphoryl phosphate;dibenzyl [3-(4-oxo-6-pyrrolidin-1-yl-1H-quinolin-2-yl)phenyl] phosphate;hydride;2-(3-hydroxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one;methanol;oxolane;[3-(4-oxo-6-pyrrolidin-1-yl-1H-quinolin-2-yl)phenyl] dihydrogen phosphate with MolForge

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Related Compounds

dibenzyl [2-[3-bis(phenylmethoxy)phosphoryloxyphenyl]-6-pyrrolidin-1-ylquinolin-4-yl] phosphate
CID 58052628
[3-(4-oxo-6-pyrrolidin-1-yl-1H-quinolin-2-yl)phenyl] bis(phenylmethoxy) phosphate
CID 142713834
trisodium;dibenzyl dimethylphosphoryl phosphate;dibenzyl [6-(2-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-8-yl] phosphate;6-(2-fluorophenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one;[6-(2-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-8-yl] dihydrogen phosphate;[6-(2-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-8-yl] phosphate;hydride;oxolane;iodide
CID 159008876
dibenzyl [6-(3-methoxyphenyl)-[1,3]dioxolo[4,5-g]quinolin-8-yl] phosphate
CID 59392953
2-(3-hydroxyphenyl)-3-methyl-6-piperidin-1-yl-1H-quinolin-4-one
CID 56670186
2-(2,3-dimethoxyphenyl)-6-morpholin-4-yl-1H-quinolin-4-one
CID 56643677
6-(dimethylamino)-2-(2-hydroxyphenyl)-1H-quinolin-4-one;6-(dimethylamino)-2-(3-methylphenyl)-1H-quinolin-4-one;2-(2-hydroxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one;2-(3-methylphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one
CID 161360591
dibenzyl [6-(2-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-8-yl] phosphate
CID 45104205
2,7-bis(4-pyrrolidin-1-ylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione
CID 139781766
methyl 4-oxo-6-pyrrolidin-1-yl-1H-quinoline-2-carboxylate
CID 63376573
6-morpholin-4-yl-4-phenoxy-1H-quinolin-2-one
CID 59237493
benzyl phenyl phosphono phosphate
CID 150753839

Frequently Asked Questions

What is the IUPAC name of sodium;dibenzyl [2-[3-bis(phenylmethoxy)phosphoryloxyphenyl]-6-pyrrolidin-1-ylquinolin-4-yl] phosphate;dibenzyl dimethylphosphoryl phosphate;dibenzyl [3-(4-oxo-6-pyrrolidin-1-yl-1H-quinolin-2-yl)phenyl] phosphate;hydride;2-(3-hydroxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one;methanol;oxolane;[3-(4-oxo-6-pyrrolidin-1-yl-1H-quinolin-2-yl)phenyl] dihydrogen phosphate?
The IUPAC name of sodium;dibenzyl [2-[3-bis(phenylmethoxy)phosphoryloxyphenyl]-6-pyrrolidin-1-ylquinolin-4-yl] phosphate;dibenzyl dimethylphosphoryl phosphate;dibenzyl [3-(4-oxo-6-pyrrolidin-1-yl-1H-quinolin-2-yl)phenyl] phosphate;hydride;2-(3-hydroxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one;methanol;oxolane;[3-(4-oxo-6-pyrrolidin-1-yl-1H-quinolin-2-yl)phenyl] dihydrogen phosphate (CID 161240955) is sodium;dibenzyl [2-[3-bis(phenylmethoxy)phosphoryloxyphenyl]-6-pyrrolidin-1-ylquinolin-4-yl] phosphate;dibenzyl dimethylphosphoryl phosphate;dibenzyl [3-(4-oxo-6-pyrrolidin-1-yl-1H-quinolin-2-yl)phenyl] phosphate;hydride;2-(3-hydroxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one;methanol;oxolane;[3-(4-oxo-6-pyrrolidin-1-yl-1H-quinolin-2-yl)phenyl] dihydrogen phosphate.
What is the SMILES notation for sodium;dibenzyl [2-[3-bis(phenylmethoxy)phosphoryloxyphenyl]-6-pyrrolidin-1-ylquinolin-4-yl] phosphate;dibenzyl dimethylphosphoryl phosphate;dibenzyl [3-(4-oxo-6-pyrrolidin-1-yl-1H-quinolin-2-yl)phenyl] phosphate;hydride;2-(3-hydroxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one;methanol;oxolane;[3-(4-oxo-6-pyrrolidin-1-yl-1H-quinolin-2-yl)phenyl] dihydrogen phosphate?
The canonical SMILES for sodium;dibenzyl [2-[3-bis(phenylmethoxy)phosphoryloxyphenyl]-6-pyrrolidin-1-ylquinolin-4-yl] phosphate;dibenzyl dimethylphosphoryl phosphate;dibenzyl [3-(4-oxo-6-pyrrolidin-1-yl-1H-quinolin-2-yl)phenyl] phosphate;hydride;2-(3-hydroxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one;methanol;oxolane;[3-(4-oxo-6-pyrrolidin-1-yl-1H-quinolin-2-yl)phenyl] dihydrogen phosphate is C1CCOC1.CO.CO.CP(C)(=O)OP(=O)(OCc1ccccc1)OCc1ccccc1.O=P(OCc1ccccc1)(OCc1ccccc1)Oc1cccc(-c2cc(OP(=O)(OCc3ccccc3)OCc3ccccc3)c3cc(N4CCCC4)ccc3n2)c1.O=c1cc(-c2cccc(O)c2)[nH]c2ccc(N3CCCC3)cc12.O=c1cc(-c2cccc(OP(=O)(O)O)c2)[nH]c2ccc(N3CCCC3)cc12.O=c1cc(-c2cccc(OP(=O)(OCc3ccccc3)OCc3ccccc3)c2)[nH]c2ccc(N3CCCC3)cc12.[H-].[Na+].
What is the InChIKey of sodium;dibenzyl [2-[3-bis(phenylmethoxy)phosphoryloxyphenyl]-6-pyrrolidin-1-ylquinolin-4-yl] phosphate;dibenzyl dimethylphosphoryl phosphate;dibenzyl [3-(4-oxo-6-pyrrolidin-1-yl-1H-quinolin-2-yl)phenyl] phosphate;hydride;2-(3-hydroxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one;methanol;oxolane;[3-(4-oxo-6-pyrrolidin-1-yl-1H-quinolin-2-yl)phenyl] dihydrogen phosphate?
The InChIKey is FYQVKBLAPCFBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H44N2O8P2.C33H31N2O5P.C19H19N2O5P.C19H18N2O2.C16H20O5P2.C4H8O.2CH4O.Na.H/c50-58(52-33-37-16-5-1-6-17-37,53-34-38-18-7-2-8-19-38)56-43-25-15-24-41(30-43)46-32-47(44-31-42(26-27-45(44)48-46)49-28-13-14-29-49)57-59(51,54-35-39-20-9-3-10-21-39)55-36-40-22-11-4-12-23-40;36-33-22-32(34-31-17-16-28(21-30(31)33)35-18-7-8-19-35)27-14-9-15-29(20-27)40-41(37,38-23-25-10-3-1-4-11-25)39-24-26-12-5-2-6-13-26;22-19-12-18(13-4-3-5-15(10-13)26-27(23,24)25)20-17-7-6-14(11-16(17)19)21-8-1-2-9-21;22-15-5-3-4-13(10-15)18-12-19(23)16-11-14(6-7-17(16)20-18)21-8-1-2-9-21;1-22(2,17)21-23(18,19-13-15-9-5-3-6-10-15)20-14-16-11-7-4-8-12-16;1-2-4-5-3-1;2*1-2;;/h1-12,15-27,30-32H,13-14,28-29,33-36H2;1-6,9-17,20-22H,7-8,18-19,23-24H2,(H,34,36);3-7,10-12H,1-2,8-9H2,(H,20,22)(H2,23,24,25);3-7,10-12,22H,1-2,8-9H2,(H,20,23);3-12H,13-14H2,1-2H3;1-4H2;2*2H,1H3;;/q;;;;;;;;+1;-1.
What are the key properties of sodium;dibenzyl [2-[3-bis(phenylmethoxy)phosphoryloxyphenyl]-6-pyrrolidin-1-ylquinolin-4-yl] phosphate;dibenzyl dimethylphosphoryl phosphate;dibenzyl [3-(4-oxo-6-pyrrolidin-1-yl-1H-quinolin-2-yl)phenyl] phosphate;hydride;2-(3-hydroxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one;methanol;oxolane;[3-(4-oxo-6-pyrrolidin-1-yl-1H-quinolin-2-yl)phenyl] dihydrogen phosphate?
sodium;dibenzyl [2-[3-bis(phenylmethoxy)phosphoryloxyphenyl]-6-pyrrolidin-1-ylquinolin-4-yl] phosphate;dibenzyl dimethylphosphoryl phosphate;dibenzyl [3-(4-oxo-6-pyrrolidin-1-yl-1H-quinolin-2-yl)phenyl] phosphate;hydride;2-(3-hydroxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one;methanol;oxolane;[3-(4-oxo-6-pyrrolidin-1-yl-1H-quinolin-2-yl)phenyl] dihydrogen phosphate has a molecular weight of 2600.59 g/mol, XLogP of 29.04, 42 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;dibenzyl [2-[3-bis(phenylmethoxy)phosphoryloxyphenyl]-6-pyrrolidin-1-ylquinolin-4-yl] phosphate;dibenzyl dimethylphosphoryl phosphate;dibenzyl [3-(4-oxo-6-pyrrolidin-1-yl-1H-quinolin-2-yl)phenyl] phosphate;hydride;2-(3-hydroxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one;methanol;oxolane;[3-(4-oxo-6-pyrrolidin-1-yl-1H-quinolin-2-yl)phenyl] dihydrogen phosphate is sourced from PubChem (CID 161240955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).