(2,5-dioxopyrrolidin-1-yl) 4-[[(5Z)-5-(3,3-dimethylbutanoylhydrazinylidene)-7,8-dihydro-6H-quinolin-2-yl]oxy]butanoate

C23H30N4O6 — CID 172964919

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-[[(5Z)-5-(3,3-dimethylbutanoylhydrazinylidene)-7,8-dihydro-6H-quinolin-2-yl]oxy]butanoate
SMILESCC(C)(C)CC(=O)N/N=C1/CCCc2nc(OCCCC(=O)ON3C(=O)CCC3=O)ccc21
InChIInChI=1S/C23H30N4O6/c1-23(2,3)14-18(28)26-25-17-7-4-6-16-15(17)9-10-19(24-16)32-13-5-8-22(31)33-27-20(29)11-12-21(27)30/h9-10H,4-8,11-14H2,1-3H3,(H,26,28)/b25-17-
InChIKeyOOTYKIFJCMSUGO-UQQQWYQISA-N
MW458.52 g/mol
LogP2.44
Rot. Bonds8

About (2,5-dioxopyrrolidin-1-yl) 4-[[(5Z)-5-(3,3-dimethylbutanoylhydrazinylidene)-7,8-dihydro-6H-quinolin-2-yl]oxy]butanoate

(2,5-dioxopyrrolidin-1-yl) 4-[[(5Z)-5-(3,3-dimethylbutanoylhydrazinylidene)-7,8-dihydro-6H-quinolin-2-yl]oxy]butanoate (PubChem CID 172964919) has the molecular formula C23H30N4O6 and a molecular weight of 458.52 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-[[(5Z)-5-(3,3-dimethylbutanoylhydrazinylidene)-7,8-dihydro-6H-quinolin-2-yl]oxy]butanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-[[(5Z)-5-(3,3-dimethylbutanoylhydrazinylidene)-7,8-dihydro-6H-quinolin-2-yl]oxy]butanoate
PubChem CID172964919
Molecular FormulaC23H30N4O6
Molecular Weight458.52 g/mol
Exact Mass458.22
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-[[(5Z)-5-(3,3-dimethylbutanoylhydrazinylidene)-7,8-dihydro-6H-quinolin-2-yl]oxy]butanoate
SMILESCC(C)(C)CC(=O)N/N=C1/CCCc2nc(OCCCC(=O)ON3C(=O)CCC3=O)ccc21
InChIInChI=1S/C23H30N4O6/c1-23(2,3)14-18(28)26-25-17-7-4-6-16-15(17)9-10-19(24-16)32-13-5-8-22(31)33-27-20(29)11-12-21(27)30/h9-10H,4-8,11-14H2,1-3H3,(H,26,28)/b25-17-
InChIKeyOOTYKIFJCMSUGO-UQQQWYQISA-N
XLogP2.44
TPSA127.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 4-[[(5Z)-5-[(3-methyl-3-sulfanylbutanoyl)hydrazinylidene]-7,8-dihydro-6H-quinolin-2-yl]oxy]butanoate
CID 155398941
(2,5-dioxopyrrolidin-1-yl) 4-[[(8Z)-8-(3,3-dimethylbutanoylhydrazinylidene)-6,7-dihydro-5H-quinolin-3-yl]oxy]butanoate
CID 172941362
4-[[(5Z)-5-(3,3-dimethylbutanoylhydrazinylidene)-7,8-dihydro-6H-quinoxalin-2-yl]oxy]butanoic acid
CID 172963359
(2,5-dioxopyrrolidin-1-yl) 4-[[(5E)-4-fluoro-5-[(3-methyl-3-sulfanylbutanoyl)hydrazinylidene]-7,8-dihydro-6H-naphthalen-2-yl]oxy]butanoate
CID 138720499
(2,5-dioxopyrrolidin-1-yl) 4-[4-[C-methyl-N-[(3-methyl-3-sulfanylbutanoyl)amino]carbonimidoyl]phenoxy]butanoate
CID 122507040
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
(2,5-dioxopyrrolidin-1-yl) 4-[[5-(4-methyl-2-oxo-4-sulfanylpentyl)imino-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl]oxy]butanoate
CID 158696950
(2,5-dioxopyrrolidin-1-yl) 4-[4-[[4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutoxy]phenyl]-hydroxy-(4-methoxyphenyl)methyl]phenoxy]butanoate
CID 23069524
2-(2,5-dioxopyrrolidin-1-yl)-4-[[(5Z)-5-[(3-methyl-3-sulfanylbutanoyl)hydrazinylidene]-7,8-dihydro-6H-naphthalen-2-yl]oxy]butanoic acid
CID 138680008
(2,5-dioxopyrrolidin-1-yl) 8,8-dimethyl-5-oxononanoate
CID 147058530
(2,5-dioxopyrrolidin-1-yl) 6-oxoheptanoate;ethane
CID 156842096
(2,5-dioxopyrrolidin-1-yl) 4-phosphanylbutanoate
CID 88947162

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[[(5Z)-5-(3,3-dimethylbutanoylhydrazinylidene)-7,8-dihydro-6H-quinolin-2-yl]oxy]butanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[[(5Z)-5-(3,3-dimethylbutanoylhydrazinylidene)-7,8-dihydro-6H-quinolin-2-yl]oxy]butanoate (CID 172964919) is (2,5-dioxopyrrolidin-1-yl) 4-[[(5Z)-5-(3,3-dimethylbutanoylhydrazinylidene)-7,8-dihydro-6H-quinolin-2-yl]oxy]butanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-[[(5Z)-5-(3,3-dimethylbutanoylhydrazinylidene)-7,8-dihydro-6H-quinolin-2-yl]oxy]butanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-[[(5Z)-5-(3,3-dimethylbutanoylhydrazinylidene)-7,8-dihydro-6H-quinolin-2-yl]oxy]butanoate is CC(C)(C)CC(=O)N/N=C1/CCCc2nc(OCCCC(=O)ON3C(=O)CCC3=O)ccc21.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-[[(5Z)-5-(3,3-dimethylbutanoylhydrazinylidene)-7,8-dihydro-6H-quinolin-2-yl]oxy]butanoate?
The InChIKey is OOTYKIFJCMSUGO-UQQQWYQISA-N. The full InChI is InChI=1S/C23H30N4O6/c1-23(2,3)14-18(28)26-25-17-7-4-6-16-15(17)9-10-19(24-16)32-13-5-8-22(31)33-27-20(29)11-12-21(27)30/h9-10H,4-8,11-14H2,1-3H3,(H,26,28)/b25-17-.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-[[(5Z)-5-(3,3-dimethylbutanoylhydrazinylidene)-7,8-dihydro-6H-quinolin-2-yl]oxy]butanoate?
(2,5-dioxopyrrolidin-1-yl) 4-[[(5Z)-5-(3,3-dimethylbutanoylhydrazinylidene)-7,8-dihydro-6H-quinolin-2-yl]oxy]butanoate has a molecular weight of 458.52 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 4-[[(5Z)-5-(3,3-dimethylbutanoylhydrazinylidene)-7,8-dihydro-6H-quinolin-2-yl]oxy]butanoate is sourced from PubChem (CID 172964919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).