2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)-N-[1-(4-methylphenyl)ethylideneamino]acetamide

C25H20ClN5O — CID 3088163

IUPAC2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)-N-[1-(4-methylphenyl)ethylideneamino]acetamide
SMILESCC(=NNC(=O)Cn1c2ccc(Cl)cc2c2nc3ccccc3nc21)c1ccc(C)cc1
InChIInChI=1S/C25H20ClN5O/c1-15-7-9-17(10-8-15)16(2)29-30-23(32)14-31-22-12-11-18(26)13-19(22)24-25(31)28-21-6-4-3-5-20(21)27-24/h3-13H,14H2,1-2H3,(H,30,32)
InChIKeySPKNUUBXHKGQBC-UHFFFAOYSA-N
MW441.92 g/mol
LogP5.24
Rot. Bonds4

About 2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)-N-[1-(4-methylphenyl)ethylideneamino]acetamide

2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)-N-[1-(4-methylphenyl)ethylideneamino]acetamide (PubChem CID 3088163) has the molecular formula C25H20ClN5O and a molecular weight of 441.92 g/mol. Its IUPAC name is 2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)-N-[1-(4-methylphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)-N-[1-(4-methylphenyl)ethylideneamino]acetamide
PubChem CID3088163
Molecular FormulaC25H20ClN5O
Molecular Weight441.92 g/mol
Exact Mass441.14
IUPAC Name2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)-N-[1-(4-methylphenyl)ethylideneamino]acetamide
SMILESCC(=NNC(=O)Cn1c2ccc(Cl)cc2c2nc3ccccc3nc21)c1ccc(C)cc1
InChIInChI=1S/C25H20ClN5O/c1-15-7-9-17(10-8-15)16(2)29-30-23(32)14-31-22-12-11-18(26)13-19(22)24-25(31)28-21-6-4-3-5-20(21)27-24/h3-13H,14H2,1-2H3,(H,30,32)
InChIKeySPKNUUBXHKGQBC-UHFFFAOYSA-N
XLogP5.24
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.92
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-methylphenyl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4040290
2-indolo[3,2-b]quinoxalin-6-yl-1-(4-methylphenyl)ethanone
CID 43853120
N-(2-aminoethyl)-2-(9-chloro-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)acetamide
CID 67094996
2-(9-chloro-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)acetamide
CID 44609048
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 9121418
9-chloro-6-nonylindolo[3,2-b]quinoxaline
CID 2045581
2-indol-1-yl-N-[1-(4-methylphenyl)ethylideneamino]acetamide
CID 4258982
6-(2-bromoethyl)-9-chloroindolo[3,2-b]quinoxaline
CID 2048757
2-(2-methylbenzimidazol-1-yl)-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide
CID 9121387
N-[1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 5006267
2-(2-chloroanilino)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide
CID 5427824
N-[1-(4-chlorophenyl)ethylideneamino]-2-indol-1-ylacetamide
CID 5150836

Frequently Asked Questions

What is the IUPAC name of 2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)-N-[1-(4-methylphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)-N-[1-(4-methylphenyl)ethylideneamino]acetamide (CID 3088163) is 2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)-N-[1-(4-methylphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)-N-[1-(4-methylphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)-N-[1-(4-methylphenyl)ethylideneamino]acetamide is CC(=NNC(=O)Cn1c2ccc(Cl)cc2c2nc3ccccc3nc21)c1ccc(C)cc1.
What is the InChIKey of 2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)-N-[1-(4-methylphenyl)ethylideneamino]acetamide?
The InChIKey is SPKNUUBXHKGQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN5O/c1-15-7-9-17(10-8-15)16(2)29-30-23(32)14-31-22-12-11-18(26)13-19(22)24-25(31)28-21-6-4-3-5-20(21)27-24/h3-13H,14H2,1-2H3,(H,30,32).
What are the key properties of 2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)-N-[1-(4-methylphenyl)ethylideneamino]acetamide?
2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)-N-[1-(4-methylphenyl)ethylideneamino]acetamide has a molecular weight of 441.92 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)-N-[1-(4-methylphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 3088163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).