(2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-5,7-dimethoxy-2,2,4-trimethylquinolin-1-yl]butanoate;2-[[1-[4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxybutyl]-5,7-dimethoxy-2,2,4-trimethylquinolin-6-yl]diazenyl]-5-nitrobenzonitrile;methane;2-[(7-methoxy-2,2,4-trimethyl-1-pentylquinolin-6-yl)diazenyl]-5-nitrobenzonitrile;(7-methoxy-2,2,4-trimethyl-1-pentylquinolin-6-yl)-(4-nitrophenyl)diazene

C113H142N21O20P — CID 159622589

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-5,7-dimethoxy-2,2,4-trimethylquinolin-1-yl]butanoate;2-[[1-[4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxybutyl]-5,7-dimethoxy-2,2,4-trimethylquinolin-6-yl]diazenyl]-5-nitrobenzonitrile;methane;2-[(7-methoxy-2,2,4-trimethyl-1-pentylquinolin-6-yl)diazenyl]-5-nitrobenzonitrile;(7-methoxy-2,2,4-trimethyl-1-pentylquinolin-6-yl)-(4-nitrophenyl)diazene
SMILESC.CCCCCN1c2cc(OC)c(/N=N/c3ccc([N+](=O)[O-])cc3)cc2C(C)=CC1(C)C.CCCCCN1c2cc(OC)c(/N=N/c3ccc([N+](=O)[O-])cc3C#N)cc2C(C)=CC1(C)C.CCCOP(OCCCCN1c2cc(OC)c(/N=N/c3ccc([N+](=O)[O-])cc3C#N)c(OC)c2C(C)=CC1(C)C)N(C(C)C)C(C)C.COc1cc2c(c(OC)c1/N=N/c1ccc([N+](=O)[O-])cc1C#N)C(C)=CC(C)(C)N2CCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C34H49N6O6P.C29H30N6O8.C25H29N5O3.C24H30N4O3.CH4/c1-11-17-45-47(39(23(2)3)24(4)5)46-18-13-12-16-38-29-20-30(43-9)32(33(44-10)31(29)25(6)21-34(38,7)8)37-36-28-15-14-27(40(41)42)19-26(28)22-35;1-17-15-29(2,3)33(12-6-7-25(38)43-34-23(36)10-11-24(34)37)21-14-22(41-4)27(28(42-5)26(17)21)32-31-20-9-8-19(35(39)40)13-18(20)16-30;1-6-7-8-11-29-23-14-24(33-5)22(13-20(23)17(2)15-25(29,3)4)28-27-21-10-9-19(30(31)32)12-18(21)16-26;1-6-7-8-13-27-22-15-23(31-5)21(14-20(22)17(2)16-24(27,3)4)26-25-18-9-11-19(12-10-18)28(29)30;/h14-15,19-21,23-24H,11-13,16-18H2,1-10H3;8-9,13-15H,6-7,10-12H2,1-5H3;9-10,12-15H,6-8,11H2,1-5H3;9-12,14-16H,6-8,13H2,1-5H3;1H4/b37-36+;32-31+;28-27+;26-25+;
InChIKeyMOBPFMOCICZOTK-XZNKFJCUSA-N
MW2145.48 g/mol
LogP29.69
Rot. Bonds43

About (2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-5,7-dimethoxy-2,2,4-trimethylquinolin-1-yl]butanoate;2-[[1-[4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxybutyl]-5,7-dimethoxy-2,2,4-trimethylquinolin-6-yl]diazenyl]-5-nitrobenzonitrile;methane;2-[(7-methoxy-2,2,4-trimethyl-1-pentylquinolin-6-yl)diazenyl]-5-nitrobenzonitrile;(7-methoxy-2,2,4-trimethyl-1-pentylquinolin-6-yl)-(4-nitrophenyl)diazene

(2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-5,7-dimethoxy-2,2,4-trimethylquinolin-1-yl]butanoate;2-[[1-[4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxybutyl]-5,7-dimethoxy-2,2,4-trimethylquinolin-6-yl]diazenyl]-5-nitrobenzonitrile;methane;2-[(7-methoxy-2,2,4-trimethyl-1-pentylquinolin-6-yl)diazenyl]-5-nitrobenzonitrile;(7-methoxy-2,2,4-trimethyl-1-pentylquinolin-6-yl)-(4-nitrophenyl)diazene (PubChem CID 159622589) has the molecular formula C113H142N21O20P and a molecular weight of 2145.48 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-5,7-dimethoxy-2,2,4-trimethylquinolin-1-yl]butanoate;2-[[1-[4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxybutyl]-5,7-dimethoxy-2,2,4-trimethylquinolin-6-yl]diazenyl]-5-nitrobenzonitrile;methane;2-[(7-methoxy-2,2,4-trimethyl-1-pentylquinolin-6-yl)diazenyl]-5-nitrobenzonitrile;(7-methoxy-2,2,4-trimethyl-1-pentylquinolin-6-yl)-(4-nitrophenyl)diazene.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-5,7-dimethoxy-2,2,4-trimethylquinolin-1-yl]butanoate;2-[[1-[4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxybutyl]-5,7-dimethoxy-2,2,4-trimethylquinolin-6-yl]diazenyl]-5-nitrobenzonitrile;methane;2-[(7-methoxy-2,2,4-trimethyl-1-pentylquinolin-6-yl)diazenyl]-5-nitrobenzonitrile;(7-methoxy-2,2,4-trimethyl-1-pentylquinolin-6-yl)-(4-nitrophenyl)diazene
PubChem CID159622589
Molecular FormulaC113H142N21O20P
Molecular Weight2145.48 g/mol
Exact Mass2144.05
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-5,7-dimethoxy-2,2,4-trimethylquinolin-1-yl]butanoate;2-[[1-[4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxybutyl]-5,7-dimethoxy-2,2,4-trimethylquinolin-6-yl]diazenyl]-5-nitrobenzonitrile;methane;2-[(7-methoxy-2,2,4-trimethyl-1-pentylquinolin-6-yl)diazenyl]-5-nitrobenzonitrile;(7-methoxy-2,2,4-trimethyl-1-pentylquinolin-6-yl)-(4-nitrophenyl)diazene
SMILESC.CCCCCN1c2cc(OC)c(/N=N/c3ccc([N+](=O)[O-])cc3)cc2C(C)=CC1(C)C.CCCCCN1c2cc(OC)c(/N=N/c3ccc([N+](=O)[O-])cc3C#N)cc2C(C)=CC1(C)C.CCCOP(OCCCCN1c2cc(OC)c(/N=N/c3ccc([N+](=O)[O-])cc3C#N)c(OC)c2C(C)=CC1(C)C)N(C(C)C)C(C)C.COc1cc2c(c(OC)c1/N=N/c1ccc([N+](=O)[O-])cc1C#N)C(C)=CC(C)(C)N2CCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C34H49N6O6P.C29H30N6O8.C25H29N5O3.C24H30N4O3.CH4/c1-11-17-45-47(39(23(2)3)24(4)5)46-18-13-12-16-38-29-20-30(43-9)32(33(44-10)31(29)25(6)21-34(38,7)8)37-36-28-15-14-27(40(41)42)19-26(28)22-35;1-17-15-29(2,3)33(12-6-7-25(38)43-34-23(36)10-11-24(34)37)21-14-22(41-4)27(28(42-5)26(17)21)32-31-20-9-8-19(35(39)40)13-18(20)16-30;1-6-7-8-11-29-23-14-24(33-5)22(13-20(23)17(2)15-25(29,3)4)28-27-21-10-9-19(30(31)32)12-18(21)16-26;1-6-7-8-13-27-22-15-23(31-5)21(14-20(22)17(2)16-24(27,3)4)26-25-18-9-11-19(12-10-18)28(29)30;/h14-15,19-21,23-24H,11-13,16-18H2,1-10H3;8-9,13-15H,6-7,10-12H2,1-5H3;9-10,12-15H,6-8,11H2,1-5H3;9-12,14-16H,6-8,13H2,1-5H3;1H4/b37-36+;32-31+;28-27+;26-25+;
InChIKeyMOBPFMOCICZOTK-XZNKFJCUSA-N
XLogP29.69
TPSA496.53 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds43
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002145.48
LogP ≤ 529.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-5,7-dimethoxy-2,2,4-trimethylquinolin-1-yl]butanoate;2-[[1-[4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxybutyl]-5,7-dimethoxy-2,2,4-trimethylquinolin-6-yl]diazenyl]-5-nitrobenzonitrile;methane;2-[(7-methoxy-2,2,4-trimethyl-1-pentylquinolin-6-yl)diazenyl]-5-nitrobenzonitrile;(7-methoxy-2,2,4-trimethyl-1-pentylquinolin-6-yl)-(4-nitrophenyl)diazene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-5,7-dimethoxy-2,2,4-trimethylquinolin-1-yl]butanoate;2-[[1-[4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxybutyl]-5,7-dimethoxy-2,2,4-trimethylquinolin-6-yl]diazenyl]-5-nitrobenzonitrile;methane;2-[(7-methoxy-2,2,4-trimethyl-1-pentylquinolin-6-yl)diazenyl]-5-nitrobenzonitrile;(7-methoxy-2,2,4-trimethyl-1-pentylquinolin-6-yl)-(4-nitrophenyl)diazene?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-5,7-dimethoxy-2,2,4-trimethylquinolin-1-yl]butanoate;2-[[1-[4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxybutyl]-5,7-dimethoxy-2,2,4-trimethylquinolin-6-yl]diazenyl]-5-nitrobenzonitrile;methane;2-[(7-methoxy-2,2,4-trimethyl-1-pentylquinolin-6-yl)diazenyl]-5-nitrobenzonitrile;(7-methoxy-2,2,4-trimethyl-1-pentylquinolin-6-yl)-(4-nitrophenyl)diazene (CID 159622589) is (2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-5,7-dimethoxy-2,2,4-trimethylquinolin-1-yl]butanoate;2-[[1-[4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxybutyl]-5,7-dimethoxy-2,2,4-trimethylquinolin-6-yl]diazenyl]-5-nitrobenzonitrile;methane;2-[(7-methoxy-2,2,4-trimethyl-1-pentylquinolin-6-yl)diazenyl]-5-nitrobenzonitrile;(7-methoxy-2,2,4-trimethyl-1-pentylquinolin-6-yl)-(4-nitrophenyl)diazene.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-5,7-dimethoxy-2,2,4-trimethylquinolin-1-yl]butanoate;2-[[1-[4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxybutyl]-5,7-dimethoxy-2,2,4-trimethylquinolin-6-yl]diazenyl]-5-nitrobenzonitrile;methane;2-[(7-methoxy-2,2,4-trimethyl-1-pentylquinolin-6-yl)diazenyl]-5-nitrobenzonitrile;(7-methoxy-2,2,4-trimethyl-1-pentylquinolin-6-yl)-(4-nitrophenyl)diazene?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-5,7-dimethoxy-2,2,4-trimethylquinolin-1-yl]butanoate;2-[[1-[4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxybutyl]-5,7-dimethoxy-2,2,4-trimethylquinolin-6-yl]diazenyl]-5-nitrobenzonitrile;methane;2-[(7-methoxy-2,2,4-trimethyl-1-pentylquinolin-6-yl)diazenyl]-5-nitrobenzonitrile;(7-methoxy-2,2,4-trimethyl-1-pentylquinolin-6-yl)-(4-nitrophenyl)diazene is C.CCCCCN1c2cc(OC)c(/N=N/c3ccc([N+](=O)[O-])cc3)cc2C(C)=CC1(C)C.CCCCCN1c2cc(OC)c(/N=N/c3ccc([N+](=O)[O-])cc3C#N)cc2C(C)=CC1(C)C.CCCOP(OCCCCN1c2cc(OC)c(/N=N/c3ccc([N+](=O)[O-])cc3C#N)c(OC)c2C(C)=CC1(C)C)N(C(C)C)C(C)C.COc1cc2c(c(OC)c1/N=N/c1ccc([N+](=O)[O-])cc1C#N)C(C)=CC(C)(C)N2CCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-5,7-dimethoxy-2,2,4-trimethylquinolin-1-yl]butanoate;2-[[1-[4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxybutyl]-5,7-dimethoxy-2,2,4-trimethylquinolin-6-yl]diazenyl]-5-nitrobenzonitrile;methane;2-[(7-methoxy-2,2,4-trimethyl-1-pentylquinolin-6-yl)diazenyl]-5-nitrobenzonitrile;(7-methoxy-2,2,4-trimethyl-1-pentylquinolin-6-yl)-(4-nitrophenyl)diazene?
The InChIKey is MOBPFMOCICZOTK-XZNKFJCUSA-N. The full InChI is InChI=1S/C34H49N6O6P.C29H30N6O8.C25H29N5O3.C24H30N4O3.CH4/c1-11-17-45-47(39(23(2)3)24(4)5)46-18-13-12-16-38-29-20-30(43-9)32(33(44-10)31(29)25(6)21-34(38,7)8)37-36-28-15-14-27(40(41)42)19-26(28)22-35;1-17-15-29(2,3)33(12-6-7-25(38)43-34-23(36)10-11-24(34)37)21-14-22(41-4)27(28(42-5)26(17)21)32-31-20-9-8-19(35(39)40)13-18(20)16-30;1-6-7-8-11-29-23-14-24(33-5)22(13-20(23)17(2)15-25(29,3)4)28-27-21-10-9-19(30(31)32)12-18(21)16-26;1-6-7-8-13-27-22-15-23(31-5)21(14-20(22)17(2)16-24(27,3)4)26-25-18-9-11-19(12-10-18)28(29)30;/h14-15,19-21,23-24H,11-13,16-18H2,1-10H3;8-9,13-15H,6-7,10-12H2,1-5H3;9-10,12-15H,6-8,11H2,1-5H3;9-12,14-16H,6-8,13H2,1-5H3;1H4/b37-36+;32-31+;28-27+;26-25+;.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-5,7-dimethoxy-2,2,4-trimethylquinolin-1-yl]butanoate;2-[[1-[4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxybutyl]-5,7-dimethoxy-2,2,4-trimethylquinolin-6-yl]diazenyl]-5-nitrobenzonitrile;methane;2-[(7-methoxy-2,2,4-trimethyl-1-pentylquinolin-6-yl)diazenyl]-5-nitrobenzonitrile;(7-methoxy-2,2,4-trimethyl-1-pentylquinolin-6-yl)-(4-nitrophenyl)diazene?
(2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-5,7-dimethoxy-2,2,4-trimethylquinolin-1-yl]butanoate;2-[[1-[4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxybutyl]-5,7-dimethoxy-2,2,4-trimethylquinolin-6-yl]diazenyl]-5-nitrobenzonitrile;methane;2-[(7-methoxy-2,2,4-trimethyl-1-pentylquinolin-6-yl)diazenyl]-5-nitrobenzonitrile;(7-methoxy-2,2,4-trimethyl-1-pentylquinolin-6-yl)-(4-nitrophenyl)diazene has a molecular weight of 2145.48 g/mol, XLogP of 29.69, 43 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-5,7-dimethoxy-2,2,4-trimethylquinolin-1-yl]butanoate;2-[[1-[4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxybutyl]-5,7-dimethoxy-2,2,4-trimethylquinolin-6-yl]diazenyl]-5-nitrobenzonitrile;methane;2-[(7-methoxy-2,2,4-trimethyl-1-pentylquinolin-6-yl)diazenyl]-5-nitrobenzonitrile;(7-methoxy-2,2,4-trimethyl-1-pentylquinolin-6-yl)-(4-nitrophenyl)diazene is sourced from PubChem (CID 159622589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).