3-benzoyl-1-[2-[2-[2-[2-(3-benzoyl-2-oxoquinoxalin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]quinoxalin-2-one

C38H34N4O7 — CID 102298020

IUPAC3-benzoyl-1-[2-[2-[2-[2-(3-benzoyl-2-oxoquinoxalin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]quinoxalin-2-one
SMILESO=C(c1ccccc1)c1nc2ccccc2n(CCOCCOCCOCCn2c(=O)c(C(=O)c3ccccc3)nc3ccccc32)c1=O
InChIInChI=1S/C38H34N4O7/c43-35(27-11-3-1-4-12-27)33-37(45)41(31-17-9-7-15-29(31)39-33)19-21-47-23-25-49-26-24-48-22-20-42-32-18-10-8-16-30(32)40-34(38(42)46)36(44)28-13-5-2-6-14-28/h1-18H,19-26H2
InChIKeySNEZHWBCSMVQHB-UHFFFAOYSA-N
MW658.71 g/mol
LogP4.32
Rot. Bonds16

About 3-benzoyl-1-[2-[2-[2-[2-(3-benzoyl-2-oxoquinoxalin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]quinoxalin-2-one

3-benzoyl-1-[2-[2-[2-[2-(3-benzoyl-2-oxoquinoxalin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]quinoxalin-2-one (PubChem CID 102298020) has the molecular formula C38H34N4O7 and a molecular weight of 658.71 g/mol. Its IUPAC name is 3-benzoyl-1-[2-[2-[2-[2-(3-benzoyl-2-oxoquinoxalin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]quinoxalin-2-one.

Molecular Properties

Compound Name3-benzoyl-1-[2-[2-[2-[2-(3-benzoyl-2-oxoquinoxalin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]quinoxalin-2-one
PubChem CID102298020
Molecular FormulaC38H34N4O7
Molecular Weight658.71 g/mol
Exact Mass658.24
IUPAC Name3-benzoyl-1-[2-[2-[2-[2-(3-benzoyl-2-oxoquinoxalin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]quinoxalin-2-one
SMILESO=C(c1ccccc1)c1nc2ccccc2n(CCOCCOCCOCCn2c(=O)c(C(=O)c3ccccc3)nc3ccccc32)c1=O
InChIInChI=1S/C38H34N4O7/c43-35(27-11-3-1-4-12-27)33-37(45)41(31-17-9-7-15-29(31)39-33)19-21-47-23-25-49-26-24-48-22-20-42-32-18-10-8-16-30(32)40-34(38(42)46)36(44)28-13-5-2-6-14-28/h1-18H,19-26H2
InChIKeySNEZHWBCSMVQHB-UHFFFAOYSA-N
XLogP4.32
TPSA131.61 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.71
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-benzoyl-1-pentylquinoxalin-2-one
CID 2016912
1-ethyl-3-(3,4,5-trimethoxybenzoyl)quinoxalin-2-one
CID 162660811
(1-ethylbenzimidazol-2-yl)-phenylmethanone
CID 67579558
1-[1-[2-[2-[2-[2-(1-hydroxyethyl)benzimidazol-1-yl]ethoxy]ethoxy]ethyl]benzimidazol-2-yl]ethanol
CID 66663003
2-[2-oxo-3-(2H-tetrazol-5-ylcarbamoyl)quinoxalin-1-yl]ethyl formate
CID 21491328
1-[1-[2-[2-[2-(1-hydroxyethyl)benzimidazol-1-yl]ethoxy]ethyl]benzimidazol-2-yl]ethanol
CID 58049613
3-[1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-yl]propan-1-ol
CID 2947583
3-(3-methyl-2-oxoquinoxalin-1-yl)propanoic acid
CID 62374383
4-(2-hydroxyethyl)-3-oxo-N-(2H-tetrazol-5-yl)quinoxaline-2-carboxamide
CID 21491293
4-ethyl-N-(4-methylphenyl)-3-oxoquinoxaline-2-carboxamide
CID 46249419
1-butyl-3-[(Z)-2-hydroxy-2-phenylethenyl]quinoxalin-2-one
CID 162414456
[1-(2,3-dihydroxypropyl)benzimidazol-2-yl]-phenylmethanone
CID 3059108

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-1-[2-[2-[2-[2-(3-benzoyl-2-oxoquinoxalin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]quinoxalin-2-one?
The IUPAC name of 3-benzoyl-1-[2-[2-[2-[2-(3-benzoyl-2-oxoquinoxalin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]quinoxalin-2-one (CID 102298020) is 3-benzoyl-1-[2-[2-[2-[2-(3-benzoyl-2-oxoquinoxalin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]quinoxalin-2-one.
What is the SMILES notation for 3-benzoyl-1-[2-[2-[2-[2-(3-benzoyl-2-oxoquinoxalin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]quinoxalin-2-one?
The canonical SMILES for 3-benzoyl-1-[2-[2-[2-[2-(3-benzoyl-2-oxoquinoxalin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]quinoxalin-2-one is O=C(c1ccccc1)c1nc2ccccc2n(CCOCCOCCOCCn2c(=O)c(C(=O)c3ccccc3)nc3ccccc32)c1=O.
What is the InChIKey of 3-benzoyl-1-[2-[2-[2-[2-(3-benzoyl-2-oxoquinoxalin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]quinoxalin-2-one?
The InChIKey is SNEZHWBCSMVQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34N4O7/c43-35(27-11-3-1-4-12-27)33-37(45)41(31-17-9-7-15-29(31)39-33)19-21-47-23-25-49-26-24-48-22-20-42-32-18-10-8-16-30(32)40-34(38(42)46)36(44)28-13-5-2-6-14-28/h1-18H,19-26H2.
What are the key properties of 3-benzoyl-1-[2-[2-[2-[2-(3-benzoyl-2-oxoquinoxalin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]quinoxalin-2-one?
3-benzoyl-1-[2-[2-[2-[2-(3-benzoyl-2-oxoquinoxalin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]quinoxalin-2-one has a molecular weight of 658.71 g/mol, XLogP of 4.32, 16 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-1-[2-[2-[2-[2-(3-benzoyl-2-oxoquinoxalin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]quinoxalin-2-one is sourced from PubChem (CID 102298020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).