[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate

C27H23N3O5 — CID 16587453

IUPAC[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
SMILESCC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C27H23N3O5/c1-27(2)26(34)28-19-11-5-8-14-22(19)30(27)23(31)16-35-24(32)15-29-20-12-6-3-9-17(20)25(33)18-10-4-7-13-21(18)29/h3-14H,15-16H2,1-2H3,(H,28,34)
InChIKeyJIEUGVFCHSVHNQ-UHFFFAOYSA-N
MW469.50 g/mol
LogP3.46
Rot. Bonds4

About [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate

[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate (PubChem CID 16587453) has the molecular formula C27H23N3O5 and a molecular weight of 469.50 g/mol. Its IUPAC name is [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate.

Molecular Properties

Compound Name[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
PubChem CID16587453
Molecular FormulaC27H23N3O5
Molecular Weight469.50 g/mol
Exact Mass469.16
IUPAC Name[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
SMILESCC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C27H23N3O5/c1-27(2)26(34)28-19-11-5-8-14-22(19)30(27)23(31)16-35-24(32)15-29-20-12-6-3-9-17(20)25(33)18-10-4-7-13-21(18)29/h3-14H,15-16H2,1-2H3,(H,28,34)
InChIKeyJIEUGVFCHSVHNQ-UHFFFAOYSA-N
XLogP3.46
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate with MolForge

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Launch Full Analysis

Related Compounds

[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7400999
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] cyclohexanecarboxylate
CID 2474950
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 3-cyclopentylpropanoate
CID 7751562
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-bromobenzoate
CID 16539809
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 8536017
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate
CID 6213330
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] pyridine-2-carboxylate
CID 2547008
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 16522438
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 4855505
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
CID 7755929
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 41001150
4-[2-(2-ethoxyphenoxy)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 7840966

Frequently Asked Questions

What is the IUPAC name of [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate?
The IUPAC name of [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate (CID 16587453) is [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate.
What is the SMILES notation for [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate?
The canonical SMILES for [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate is CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)Cn1c2ccccc2c(=O)c2ccccc21.
What is the InChIKey of [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate?
The InChIKey is JIEUGVFCHSVHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O5/c1-27(2)26(34)28-19-11-5-8-14-22(19)30(27)23(31)16-35-24(32)15-29-20-12-6-3-9-17(20)25(33)18-10-4-7-13-21(18)29/h3-14H,15-16H2,1-2H3,(H,28,34).
What are the key properties of [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate?
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate has a molecular weight of 469.50 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate is sourced from PubChem (CID 16587453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).