N'-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoyl]quinoline-2-carbohydrazide

C22H18N4O4 — CID 35069128

IUPACN'-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoyl]quinoline-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc2ccccc2n1)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C22H18N4O4/c27-19-11-12-20(28)26(19)13-14-5-7-16(8-6-14)21(29)24-25-22(30)18-10-9-15-3-1-2-4-17(15)23-18/h1-10H,11-13H2,(H,24,29)(H,25,30)
InChIKeyGZEJCLHXGJISFW-UHFFFAOYSA-N
MW402.41 g/mol
LogP1.96
Rot. Bonds4

About N'-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoyl]quinoline-2-carbohydrazide

N'-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoyl]quinoline-2-carbohydrazide (PubChem CID 35069128) has the molecular formula C22H18N4O4 and a molecular weight of 402.41 g/mol. Its IUPAC name is N'-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoyl]quinoline-2-carbohydrazide.

Molecular Properties

Compound NameN'-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoyl]quinoline-2-carbohydrazide
PubChem CID35069128
Molecular FormulaC22H18N4O4
Molecular Weight402.41 g/mol
Exact Mass402.13
IUPAC NameN'-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoyl]quinoline-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc2ccccc2n1)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C22H18N4O4/c27-19-11-12-20(28)26(19)13-14-5-7-16(8-6-14)21(29)24-25-22(30)18-10-9-15-3-1-2-4-17(15)23-18/h1-10H,11-13H2,(H,24,29)(H,25,30)
InChIKeyGZEJCLHXGJISFW-UHFFFAOYSA-N
XLogP1.96
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoyl]quinoline-2-carbohydrazide?
The IUPAC name of N'-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoyl]quinoline-2-carbohydrazide (CID 35069128) is N'-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoyl]quinoline-2-carbohydrazide.
What is the SMILES notation for N'-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoyl]quinoline-2-carbohydrazide?
The canonical SMILES for N'-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoyl]quinoline-2-carbohydrazide is O=C(NNC(=O)c1ccc2ccccc2n1)c1ccc(CN2C(=O)CCC2=O)cc1.
What is the InChIKey of N'-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoyl]quinoline-2-carbohydrazide?
The InChIKey is GZEJCLHXGJISFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O4/c27-19-11-12-20(28)26(19)13-14-5-7-16(8-6-14)21(29)24-25-22(30)18-10-9-15-3-1-2-4-17(15)23-18/h1-10H,11-13H2,(H,24,29)(H,25,30).
What are the key properties of N'-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoyl]quinoline-2-carbohydrazide?
N'-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoyl]quinoline-2-carbohydrazide has a molecular weight of 402.41 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoyl]quinoline-2-carbohydrazide is sourced from PubChem (CID 35069128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).