2-[[1-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl]-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]diazenyl]-5-nitrobenzonitrile;2-[[1-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl]-7-methoxy-2,2,4-trimethylquinolin-6-yl]diazenyl]-5-nitrobenzonitrile;4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]butanoic acid;4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethylquinolin-1-yl]butanoic acid;(2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethylquinolin-1-yl]butanoate

C170H200N36O34P2 — CID 159766675

IUPAC2-[[1-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl]-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]diazenyl]-5-nitrobenzonitrile;2-[[1-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl]-7-methoxy-2,2,4-trimethylquinolin-6-yl]diazenyl]-5-nitrobenzonitrile;4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]butanoic acid;4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethylquinolin-1-yl]butanoic acid;(2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethylquinolin-1-yl]butanoate
SMILESCOc1cc2c(cc1/N=N/c1ccc([N+](=O)[O-])cc1C#N)C(C)=CC(C)(C)N2CCCC(=O)O.COc1cc2c(cc1/N=N/c1ccc([N+](=O)[O-])cc1C#N)C(C)=CC(C)(C)N2CCCC(=O)ON1C(=O)CCC1=O.COc1cc2c(cc1/N=N/c1ccc([N+](=O)[O-])cc1C#N)C(C)=CC(C)(C)N2CCCCOP(OCCC#N)N(C(C)C)C(C)C.COc1cc2c(cc1/N=N/c1ccc([N+](=O)[O-])cc1C#N)C(C)CC(C)(C)N2CCCC(=O)O.COc1cc2c(cc1/N=N/c1ccc([N+](=O)[O-])cc1C#N)C(C)CC(C)(C)N2CCCC(=O)ON1C(=O)CCC1=O.COc1cc2c(cc1/N=N/c1ccc([N+](=O)[O-])cc1C#N)C(C)CC(C)(C)N2CCCCOP(OCCC#N)N(C(C)C)C(C)C
InChIInChI=1S/C33H46N7O5P.C33H44N7O5P.C28H30N6O7.C28H28N6O7.C24H27N5O5.C24H25N5O5/c2*1-23(2)39(24(3)4)46(45-17-11-14-34)44-16-10-9-15-38-31-20-32(43-8)30(19-28(31)25(5)21-33(38,6)7)37-36-29-13-12-27(40(41)42)18-26(29)22-35;2*1-17-15-28(2,3)32(11-5-6-27(37)41-33-25(35)9-10-26(33)36)23-14-24(40-4)22(13-20(17)23)31-30-21-8-7-19(34(38)39)12-18(21)16-29;2*1-15-13-24(2,3)28(9-5-6-23(30)31)21-12-22(34-4)20(11-18(15)21)27-26-19-8-7-17(29(32)33)10-16(19)14-25/h12-13,18-20,23-25H,9-11,15-17,21H2,1-8H3;12-13,18-21,23-24H,9-11,15-17H2,1-8H3;7-8,12-14,17H,5-6,9-11,15H2,1-4H3;7-8,12-15H,5-6,9-11H2,1-4H3;7-8,10-12,15H,5-6,9,13H2,1-4H3,(H,30,31);7-8,10-13H,5-6,9H2,1-4H3,(H,30,31)/b2*37-36+;2*31-30+;2*27-26+
InChIKeyNFOZVOFLEMONEP-JFUHOVIQSA-N
MW3353.64 g/mol
LogP40.28
Rot. Bonds66

About 2-[[1-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl]-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]diazenyl]-5-nitrobenzonitrile;2-[[1-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl]-7-methoxy-2,2,4-trimethylquinolin-6-yl]diazenyl]-5-nitrobenzonitrile;4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]butanoic acid;4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethylquinolin-1-yl]butanoic acid;(2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethylquinolin-1-yl]butanoate

2-[[1-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl]-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]diazenyl]-5-nitrobenzonitrile;2-[[1-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl]-7-methoxy-2,2,4-trimethylquinolin-6-yl]diazenyl]-5-nitrobenzonitrile;4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]butanoic acid;4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethylquinolin-1-yl]butanoic acid;(2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethylquinolin-1-yl]butanoate (PubChem CID 159766675) has the molecular formula C170H200N36O34P2 and a molecular weight of 3353.64 g/mol. Its IUPAC name is 2-[[1-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl]-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]diazenyl]-5-nitrobenzonitrile;2-[[1-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl]-7-methoxy-2,2,4-trimethylquinolin-6-yl]diazenyl]-5-nitrobenzonitrile;4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]butanoic acid;4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethylquinolin-1-yl]butanoic acid;(2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethylquinolin-1-yl]butanoate.

Molecular Properties

Compound Name2-[[1-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl]-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]diazenyl]-5-nitrobenzonitrile;2-[[1-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl]-7-methoxy-2,2,4-trimethylquinolin-6-yl]diazenyl]-5-nitrobenzonitrile;4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]butanoic acid;4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethylquinolin-1-yl]butanoic acid;(2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethylquinolin-1-yl]butanoate
PubChem CID159766675
Molecular FormulaC170H200N36O34P2
Molecular Weight3353.64 g/mol
Exact Mass3351.45
IUPAC Name2-[[1-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl]-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]diazenyl]-5-nitrobenzonitrile;2-[[1-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl]-7-methoxy-2,2,4-trimethylquinolin-6-yl]diazenyl]-5-nitrobenzonitrile;4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]butanoic acid;4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethylquinolin-1-yl]butanoic acid;(2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethylquinolin-1-yl]butanoate
SMILESCOc1cc2c(cc1/N=N/c1ccc([N+](=O)[O-])cc1C#N)C(C)=CC(C)(C)N2CCCC(=O)O.COc1cc2c(cc1/N=N/c1ccc([N+](=O)[O-])cc1C#N)C(C)=CC(C)(C)N2CCCC(=O)ON1C(=O)CCC1=O.COc1cc2c(cc1/N=N/c1ccc([N+](=O)[O-])cc1C#N)C(C)=CC(C)(C)N2CCCCOP(OCCC#N)N(C(C)C)C(C)C.COc1cc2c(cc1/N=N/c1ccc([N+](=O)[O-])cc1C#N)C(C)CC(C)(C)N2CCCC(=O)O.COc1cc2c(cc1/N=N/c1ccc([N+](=O)[O-])cc1C#N)C(C)CC(C)(C)N2CCCC(=O)ON1C(=O)CCC1=O.COc1cc2c(cc1/N=N/c1ccc([N+](=O)[O-])cc1C#N)C(C)CC(C)(C)N2CCCCOP(OCCC#N)N(C(C)C)C(C)C
InChIInChI=1S/C33H46N7O5P.C33H44N7O5P.C28H30N6O7.C28H28N6O7.C24H27N5O5.C24H25N5O5/c2*1-23(2)39(24(3)4)46(45-17-11-14-34)44-16-10-9-15-38-31-20-32(43-8)30(19-28(31)25(5)21-33(38,6)7)37-36-29-13-12-27(40(41)42)18-26(29)22-35;2*1-17-15-28(2,3)32(11-5-6-27(37)41-33-25(35)9-10-26(33)36)23-14-24(40-4)22(13-20(17)23)31-30-21-8-7-19(34(38)39)12-18(21)16-29;2*1-15-13-24(2,3)28(9-5-6-23(30)31)21-12-22(34-4)20(11-18(15)21)27-26-19-8-7-17(29(32)33)10-16(19)14-25/h12-13,18-20,23-25H,9-11,15-17,21H2,1-8H3;12-13,18-21,23-24H,9-11,15-17H2,1-8H3;7-8,12-14,17H,5-6,9-11,15H2,1-4H3;7-8,12-15H,5-6,9-11H2,1-4H3;7-8,10-12,15H,5-6,9,13H2,1-4H3,(H,30,31);7-8,10-13H,5-6,9H2,1-4H3,(H,30,31)/b2*37-36+;2*31-30+;2*27-26+
InChIKeyNFOZVOFLEMONEP-JFUHOVIQSA-N
XLogP40.28
TPSA917.66 Ų
H-Bond Donors2
H-Bond Acceptors60
Rotatable Bonds66
Heavy Atoms242
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003353.64
LogP ≤ 540.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1060

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-[[1-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl]-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]diazenyl]-5-nitrobenzonitrile;2-[[1-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl]-7-methoxy-2,2,4-trimethylquinolin-6-yl]diazenyl]-5-nitrobenzonitrile;4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]butanoic acid;4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethylquinolin-1-yl]butanoic acid;(2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethylquinolin-1-yl]butanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl]-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]diazenyl]-5-nitrobenzonitrile;2-[[1-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl]-7-methoxy-2,2,4-trimethylquinolin-6-yl]diazenyl]-5-nitrobenzonitrile;4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]butanoic acid;4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethylquinolin-1-yl]butanoic acid;(2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethylquinolin-1-yl]butanoate?
The IUPAC name of 2-[[1-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl]-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]diazenyl]-5-nitrobenzonitrile;2-[[1-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl]-7-methoxy-2,2,4-trimethylquinolin-6-yl]diazenyl]-5-nitrobenzonitrile;4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]butanoic acid;4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethylquinolin-1-yl]butanoic acid;(2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethylquinolin-1-yl]butanoate (CID 159766675) is 2-[[1-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl]-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]diazenyl]-5-nitrobenzonitrile;2-[[1-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl]-7-methoxy-2,2,4-trimethylquinolin-6-yl]diazenyl]-5-nitrobenzonitrile;4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]butanoic acid;4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethylquinolin-1-yl]butanoic acid;(2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethylquinolin-1-yl]butanoate.
What is the SMILES notation for 2-[[1-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl]-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]diazenyl]-5-nitrobenzonitrile;2-[[1-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl]-7-methoxy-2,2,4-trimethylquinolin-6-yl]diazenyl]-5-nitrobenzonitrile;4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]butanoic acid;4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethylquinolin-1-yl]butanoic acid;(2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethylquinolin-1-yl]butanoate?
The canonical SMILES for 2-[[1-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl]-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]diazenyl]-5-nitrobenzonitrile;2-[[1-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl]-7-methoxy-2,2,4-trimethylquinolin-6-yl]diazenyl]-5-nitrobenzonitrile;4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]butanoic acid;4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethylquinolin-1-yl]butanoic acid;(2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethylquinolin-1-yl]butanoate is COc1cc2c(cc1/N=N/c1ccc([N+](=O)[O-])cc1C#N)C(C)=CC(C)(C)N2CCCC(=O)O.COc1cc2c(cc1/N=N/c1ccc([N+](=O)[O-])cc1C#N)C(C)=CC(C)(C)N2CCCC(=O)ON1C(=O)CCC1=O.COc1cc2c(cc1/N=N/c1ccc([N+](=O)[O-])cc1C#N)C(C)=CC(C)(C)N2CCCCOP(OCCC#N)N(C(C)C)C(C)C.COc1cc2c(cc1/N=N/c1ccc([N+](=O)[O-])cc1C#N)C(C)CC(C)(C)N2CCCC(=O)O.COc1cc2c(cc1/N=N/c1ccc([N+](=O)[O-])cc1C#N)C(C)CC(C)(C)N2CCCC(=O)ON1C(=O)CCC1=O.COc1cc2c(cc1/N=N/c1ccc([N+](=O)[O-])cc1C#N)C(C)CC(C)(C)N2CCCCOP(OCCC#N)N(C(C)C)C(C)C.
What is the InChIKey of 2-[[1-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl]-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]diazenyl]-5-nitrobenzonitrile;2-[[1-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl]-7-methoxy-2,2,4-trimethylquinolin-6-yl]diazenyl]-5-nitrobenzonitrile;4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]butanoic acid;4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethylquinolin-1-yl]butanoic acid;(2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethylquinolin-1-yl]butanoate?
The InChIKey is NFOZVOFLEMONEP-JFUHOVIQSA-N. The full InChI is InChI=1S/C33H46N7O5P.C33H44N7O5P.C28H30N6O7.C28H28N6O7.C24H27N5O5.C24H25N5O5/c2*1-23(2)39(24(3)4)46(45-17-11-14-34)44-16-10-9-15-38-31-20-32(43-8)30(19-28(31)25(5)21-33(38,6)7)37-36-29-13-12-27(40(41)42)18-26(29)22-35;2*1-17-15-28(2,3)32(11-5-6-27(37)41-33-25(35)9-10-26(33)36)23-14-24(40-4)22(13-20(17)23)31-30-21-8-7-19(34(38)39)12-18(21)16-29;2*1-15-13-24(2,3)28(9-5-6-23(30)31)21-12-22(34-4)20(11-18(15)21)27-26-19-8-7-17(29(32)33)10-16(19)14-25/h12-13,18-20,23-25H,9-11,15-17,21H2,1-8H3;12-13,18-21,23-24H,9-11,15-17H2,1-8H3;7-8,12-14,17H,5-6,9-11,15H2,1-4H3;7-8,12-15H,5-6,9-11H2,1-4H3;7-8,10-12,15H,5-6,9,13H2,1-4H3,(H,30,31);7-8,10-13H,5-6,9H2,1-4H3,(H,30,31)/b2*37-36+;2*31-30+;2*27-26+.
What are the key properties of 2-[[1-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl]-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]diazenyl]-5-nitrobenzonitrile;2-[[1-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl]-7-methoxy-2,2,4-trimethylquinolin-6-yl]diazenyl]-5-nitrobenzonitrile;4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]butanoic acid;4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethylquinolin-1-yl]butanoic acid;(2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethylquinolin-1-yl]butanoate?
2-[[1-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl]-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]diazenyl]-5-nitrobenzonitrile;2-[[1-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl]-7-methoxy-2,2,4-trimethylquinolin-6-yl]diazenyl]-5-nitrobenzonitrile;4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]butanoic acid;4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethylquinolin-1-yl]butanoic acid;(2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethylquinolin-1-yl]butanoate has a molecular weight of 3353.64 g/mol, XLogP of 40.28, 66 rotatable bonds, 2 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl]-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]diazenyl]-5-nitrobenzonitrile;2-[[1-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl]-7-methoxy-2,2,4-trimethylquinolin-6-yl]diazenyl]-5-nitrobenzonitrile;4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]butanoic acid;4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethylquinolin-1-yl]butanoic acid;(2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethylquinolin-1-yl]butanoate is sourced from PubChem (CID 159766675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).