4-chloro-N-[4-oxo-4-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)anilino]butyl]benzamide

C26H23ClN4O4 — CID 55750719

IUPAC4-chloro-N-[4-oxo-4-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)anilino]butyl]benzamide
SMILESO=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C26H23ClN4O4/c27-19-11-7-17(8-12-19)25(34)28-15-3-6-23(32)29-20-13-9-18(10-14-20)26(35)31-16-24(33)30-21-4-1-2-5-22(21)31/h1-2,4-5,7-14H,3,6,15-16H2,(H,28,34)(H,29,32)(H,30,33)
InChIKeyXEVXIASBCRRVRO-UHFFFAOYSA-N
MW490.95 g/mol
LogP4.09
Rot. Bonds7

About 4-chloro-N-[4-oxo-4-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)anilino]butyl]benzamide

4-chloro-N-[4-oxo-4-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)anilino]butyl]benzamide (PubChem CID 55750719) has the molecular formula C26H23ClN4O4 and a molecular weight of 490.95 g/mol. Its IUPAC name is 4-chloro-N-[4-oxo-4-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)anilino]butyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-oxo-4-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)anilino]butyl]benzamide
PubChem CID55750719
Molecular FormulaC26H23ClN4O4
Molecular Weight490.95 g/mol
Exact Mass490.14
IUPAC Name4-chloro-N-[4-oxo-4-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)anilino]butyl]benzamide
SMILESO=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C26H23ClN4O4/c27-19-11-7-17(8-12-19)25(34)28-15-3-6-23(32)29-20-13-9-18(10-14-20)26(35)31-16-24(33)30-21-4-1-2-5-22(21)31/h1-2,4-5,7-14H,3,6,15-16H2,(H,28,34)(H,29,32)(H,30,33)
InChIKeyXEVXIASBCRRVRO-UHFFFAOYSA-N
XLogP4.09
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.95
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-chloro-N-[4-oxo-4-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)anilino]butyl]benzamide with MolForge

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Related Compounds

N-[4-oxo-4-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)anilino]butyl]thiophene-3-carboxamide
CID 55750977
2-(2,5-dichlorophenoxy)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]acetamide
CID 55751125
4-chloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]pyridine-2-carboxamide
CID 55750839
4-[4-(chloromethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 43333513
4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55750721
4-(methylsulfonylmethyl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55751111
N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55798615
(E)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-3-phenylprop-2-enamide
CID 55750852
N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 55750902
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]acetamide
CID 55751110
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]propanamide
CID 55798485
1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione
CID 2445640

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-oxo-4-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)anilino]butyl]benzamide?
The IUPAC name of 4-chloro-N-[4-oxo-4-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)anilino]butyl]benzamide (CID 55750719) is 4-chloro-N-[4-oxo-4-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)anilino]butyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-oxo-4-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)anilino]butyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-oxo-4-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)anilino]butyl]benzamide is O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1.
What is the InChIKey of 4-chloro-N-[4-oxo-4-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)anilino]butyl]benzamide?
The InChIKey is XEVXIASBCRRVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN4O4/c27-19-11-7-17(8-12-19)25(34)28-15-3-6-23(32)29-20-13-9-18(10-14-20)26(35)31-16-24(33)30-21-4-1-2-5-22(21)31/h1-2,4-5,7-14H,3,6,15-16H2,(H,28,34)(H,29,32)(H,30,33).
What are the key properties of 4-chloro-N-[4-oxo-4-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)anilino]butyl]benzamide?
4-chloro-N-[4-oxo-4-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)anilino]butyl]benzamide has a molecular weight of 490.95 g/mol, XLogP of 4.09, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-oxo-4-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)anilino]butyl]benzamide is sourced from PubChem (CID 55750719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).