(2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethylquinolin-1-yl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[7-methoxy-2,2,4-trimethyl-6-[(4-nitrophenyl)diazenyl]quinolin-1-yl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[N-methyl-4-[(2-nitrophenyl)diazenyl]anilino]butanoate

C76H78N16O20 — CID 163626287

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethylquinolin-1-yl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[7-methoxy-2,2,4-trimethyl-6-[(4-nitrophenyl)diazenyl]quinolin-1-yl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[N-methyl-4-[(2-nitrophenyl)diazenyl]anilino]butanoate
SMILESCN(CCCC(=O)ON1C(=O)CCC1=O)c1ccc(/N=N/c2ccccc2[N+](=O)[O-])cc1.COc1cc2c(cc1/N=N/c1ccc([N+](=O)[O-])cc1)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)N2CCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C28H28N6O7.C27H29N5O7.C21H21N5O6/c1-17-15-28(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;1-17-16-27(2,3)30(13-5-6-26(35)39-31-24(33)11-12-25(31)34)22-15-23(38-4)21(14-20(17)22)29-28-18-7-9-19(10-8-18)32(36)37;1-24(14-4-7-21(29)32-25-19(27)12-13-20(25)28)16-10-8-15(9-11-16)22-23-17-5-2-3-6-18(17)26(30)31/h7-8,12-15H,5-6,9-11H2,1-4H3;7-10,14-16H,5-6,11-13H2,1-4H3;2-3,5-6,8-11H,4,7,12-14H2,1H3/b31-30+;29-28+;23-22+
InChIKeyHSHGDQQJGFLCED-QSSTWDCLSA-N
MW1535.55 g/mol
LogP14.52
Rot. Bonds27

About (2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethylquinolin-1-yl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[7-methoxy-2,2,4-trimethyl-6-[(4-nitrophenyl)diazenyl]quinolin-1-yl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[N-methyl-4-[(2-nitrophenyl)diazenyl]anilino]butanoate

(2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethylquinolin-1-yl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[7-methoxy-2,2,4-trimethyl-6-[(4-nitrophenyl)diazenyl]quinolin-1-yl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[N-methyl-4-[(2-nitrophenyl)diazenyl]anilino]butanoate (PubChem CID 163626287) has the molecular formula C76H78N16O20 and a molecular weight of 1535.55 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethylquinolin-1-yl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[7-methoxy-2,2,4-trimethyl-6-[(4-nitrophenyl)diazenyl]quinolin-1-yl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[N-methyl-4-[(2-nitrophenyl)diazenyl]anilino]butanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethylquinolin-1-yl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[7-methoxy-2,2,4-trimethyl-6-[(4-nitrophenyl)diazenyl]quinolin-1-yl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[N-methyl-4-[(2-nitrophenyl)diazenyl]anilino]butanoate
PubChem CID163626287
Molecular FormulaC76H78N16O20
Molecular Weight1535.55 g/mol
Exact Mass1534.56
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethylquinolin-1-yl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[7-methoxy-2,2,4-trimethyl-6-[(4-nitrophenyl)diazenyl]quinolin-1-yl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[N-methyl-4-[(2-nitrophenyl)diazenyl]anilino]butanoate
SMILESCN(CCCC(=O)ON1C(=O)CCC1=O)c1ccc(/N=N/c2ccccc2[N+](=O)[O-])cc1.COc1cc2c(cc1/N=N/c1ccc([N+](=O)[O-])cc1)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)N2CCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C28H28N6O7.C27H29N5O7.C21H21N5O6/c1-17-15-28(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;1-17-16-27(2,3)30(13-5-6-26(35)39-31-24(33)11-12-25(31)34)22-15-23(38-4)21(14-20(17)22)29-28-18-7-9-19(10-8-18)32(36)37;1-24(14-4-7-21(29)32-25-19(27)12-13-20(25)28)16-10-8-15(9-11-16)22-23-17-5-2-3-6-18(17)26(30)31/h7-8,12-15H,5-6,9-11H2,1-4H3;7-10,14-16H,5-6,11-13H2,1-4H3;2-3,5-6,8-11H,4,7,12-14H2,1H3/b31-30+;29-28+;23-22+
InChIKeyHSHGDQQJGFLCED-QSSTWDCLSA-N
XLogP14.52
TPSA446.59 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds27
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001535.55
LogP ≤ 514.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', '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]-7-methoxy-2,2,4-trimethylquinolin-1-yl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[7-methoxy-2,2,4-trimethyl-6-[(4-nitrophenyl)diazenyl]quinolin-1-yl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[N-methyl-4-[(2-nitrophenyl)diazenyl]anilino]butanoate with MolForge

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Related Compounds

4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethylquinolin-1-yl]butyl hypoiodite
CID 122595947
(2,5-dioxopyrrolidin-1-yl) 4-[4-[[2,5-dimethoxy-4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]-N-ethylanilino]butanoate
CID 59064813
(2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-5,7-dimethoxy-2,2,4-trimethylquinolin-1-yl]butanoate;(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-[[1-[4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxybutyl]-5,7-dimethoxy-2,2,4-trimethylquinolin-6-yl]diazenyl]-5-nitrobenzonitrile;2-[[1-[4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxybutyl]-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]diazenyl]-5-nitrobenzonitrile;2-[[7-methoxy-2,2,4-trimethyl-1-(4-oxopentyl)quinolin-6-yl]diazenyl]-5-nitrobenzonitrile;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 160868471
(1-butyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-(2-methoxy-4-nitrophenyl)diazene;(1-butyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-(4-nitrophenyl)diazene;(1-butyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-(4-nitrophenyl)diazene;(2,5-dioxopyrrolidin-1-yl) 4-[7-methoxy-2,2,4-trimethyl-6-[(4-nitrophenyl)diazenyl]-3,4-dihydroquinolin-1-yl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[7-methoxy-2,2,4-trimethyl-6-[(4-nitrophenyl)diazenyl]quinolin-1-yl]butanoate;N-[4-[7-methoxy-2,2,4-trimethyl-6-[(4-nitrophenyl)diazenyl]-3,4-dihydroquinolin-1-yl]butoxy-propoxyphosphanyl]-N-propan-2-ylpropan-2-amine;N-[4-[7-methoxy-2,2,4-trimethyl-6-[(4-nitrophenyl)diazenyl]quinolin-1-yl]butoxy-propoxyphosphanyl]-N-propan-2-ylpropan-2-amine
CID 159055654
4-[6-[(2-chloro-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethylquinolin-1-yl]butanoic acid;propanenitrile
CID 145163531
4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]butanoic acid
CID 122595720
2-[[1-[4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxybutyl]-5,7-dimethoxy-2,2,4-trimethylquinolin-6-yl]diazenyl]-5-nitrobenzonitrile
CID 122595747
ethyl 4-[4-[(2-cyano-4-nitrophenyl)diazenyl]-N-ethyl-5-(hydroxymethyl)-2-methoxyanilino]butanoate
CID 58460675
N-[4-[7-methoxy-2,2,4-trimethyl-6-[(5-nitro-1,3-thiazol-2-yl)diazenyl]quinolin-1-yl]butoxy-propoxyphosphanyl]-N-propan-2-ylpropan-2-amine
CID 158698845
methyl 3-[5-[(4-nitrophenyl)diazenyl]-2,3-dihydroindol-1-yl]propanoate
CID 2818439
[4-methoxy-2-[(4-nitrophenyl)diazenyl]-5-phenyldiazenylphenyl]methanol
CID 156681842
1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(2-methyl-4-nitrophenyl)methanimine
CID 50867566

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethylquinolin-1-yl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[7-methoxy-2,2,4-trimethyl-6-[(4-nitrophenyl)diazenyl]quinolin-1-yl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[N-methyl-4-[(2-nitrophenyl)diazenyl]anilino]butanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethylquinolin-1-yl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[7-methoxy-2,2,4-trimethyl-6-[(4-nitrophenyl)diazenyl]quinolin-1-yl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[N-methyl-4-[(2-nitrophenyl)diazenyl]anilino]butanoate (CID 163626287) is (2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethylquinolin-1-yl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[7-methoxy-2,2,4-trimethyl-6-[(4-nitrophenyl)diazenyl]quinolin-1-yl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[N-methyl-4-[(2-nitrophenyl)diazenyl]anilino]butanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethylquinolin-1-yl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[7-methoxy-2,2,4-trimethyl-6-[(4-nitrophenyl)diazenyl]quinolin-1-yl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[N-methyl-4-[(2-nitrophenyl)diazenyl]anilino]butanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethylquinolin-1-yl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[7-methoxy-2,2,4-trimethyl-6-[(4-nitrophenyl)diazenyl]quinolin-1-yl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[N-methyl-4-[(2-nitrophenyl)diazenyl]anilino]butanoate is CN(CCCC(=O)ON1C(=O)CCC1=O)c1ccc(/N=N/c2ccccc2[N+](=O)[O-])cc1.COc1cc2c(cc1/N=N/c1ccc([N+](=O)[O-])cc1)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)N2CCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethylquinolin-1-yl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[7-methoxy-2,2,4-trimethyl-6-[(4-nitrophenyl)diazenyl]quinolin-1-yl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[N-methyl-4-[(2-nitrophenyl)diazenyl]anilino]butanoate?
The InChIKey is HSHGDQQJGFLCED-QSSTWDCLSA-N. The full InChI is InChI=1S/C28H28N6O7.C27H29N5O7.C21H21N5O6/c1-17-15-28(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;1-17-16-27(2,3)30(13-5-6-26(35)39-31-24(33)11-12-25(31)34)22-15-23(38-4)21(14-20(17)22)29-28-18-7-9-19(10-8-18)32(36)37;1-24(14-4-7-21(29)32-25-19(27)12-13-20(25)28)16-10-8-15(9-11-16)22-23-17-5-2-3-6-18(17)26(30)31/h7-8,12-15H,5-6,9-11H2,1-4H3;7-10,14-16H,5-6,11-13H2,1-4H3;2-3,5-6,8-11H,4,7,12-14H2,1H3/b31-30+;29-28+;23-22+.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethylquinolin-1-yl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[7-methoxy-2,2,4-trimethyl-6-[(4-nitrophenyl)diazenyl]quinolin-1-yl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[N-methyl-4-[(2-nitrophenyl)diazenyl]anilino]butanoate?
(2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethylquinolin-1-yl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[7-methoxy-2,2,4-trimethyl-6-[(4-nitrophenyl)diazenyl]quinolin-1-yl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[N-methyl-4-[(2-nitrophenyl)diazenyl]anilino]butanoate has a molecular weight of 1535.55 g/mol, XLogP of 14.52, 27 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 4-[6-[(2-cyano-4-nitrophenyl)diazenyl]-7-methoxy-2,2,4-trimethylquinolin-1-yl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[7-methoxy-2,2,4-trimethyl-6-[(4-nitrophenyl)diazenyl]quinolin-1-yl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[N-methyl-4-[(2-nitrophenyl)diazenyl]anilino]butanoate is sourced from PubChem (CID 163626287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).