N-[8-acetamido-3-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-5-yl]acetamide

C23H26ClN5O3 — CID 137105329

IUPACN-[8-acetamido-3-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-5-yl]acetamide
SMILESCC(=O)Nc1ccc(NC(C)=O)c2c1N/C(=N\Cc1cccc(Cl)c1)C1(CCOCC1)N2
InChIInChI=1S/C23H26ClN5O3/c1-14(30)26-18-6-7-19(27-15(2)31)21-20(18)28-22(23(29-21)8-10-32-11-9-23)25-13-16-4-3-5-17(24)12-16/h3-7,12,29H,8-11,13H2,1-2H3,(H,25,28)(H,26,30)(H,27,31)
InChIKeyQQJNRDUTRLSOLJ-UHFFFAOYSA-N
MW455.95 g/mol
LogP4.24
Rot. Bonds4

About N-[8-acetamido-3-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-5-yl]acetamide

N-[8-acetamido-3-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-5-yl]acetamide (PubChem CID 137105329) has the molecular formula C23H26ClN5O3 and a molecular weight of 455.95 g/mol. Its IUPAC name is N-[8-acetamido-3-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-5-yl]acetamide.

Molecular Properties

Compound NameN-[8-acetamido-3-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-5-yl]acetamide
PubChem CID137105329
Molecular FormulaC23H26ClN5O3
Molecular Weight455.95 g/mol
Exact Mass455.17
IUPAC NameN-[8-acetamido-3-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-5-yl]acetamide
SMILESCC(=O)Nc1ccc(NC(C)=O)c2c1N/C(=N\Cc1cccc(Cl)c1)C1(CCOCC1)N2
InChIInChI=1S/C23H26ClN5O3/c1-14(30)26-18-6-7-19(27-15(2)31)21-20(18)28-22(23(29-21)8-10-32-11-9-23)25-13-16-4-3-5-17(24)12-16/h3-7,12,29H,8-11,13H2,1-2H3,(H,25,28)(H,26,30)(H,27,31)
InChIKeyQQJNRDUTRLSOLJ-UHFFFAOYSA-N
XLogP4.24
TPSA103.85 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.95
LogP ≤ 54.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-5-yl]acetamide
CID 137104943
N-[8-acetamido-3-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,1'-cyclohexane]-5-yl]acetamide
CID 137105388
3-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-5,8-dicarbonitrile
CID 137105328
3-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-6,7-dicarboxamide
CID 137105335
3-[(3-chlorophenyl)methylimino]-6-N,6-N,7-N,7-N-tetramethylspiro[1,4-dihydroquinoxaline-2,4'-oxane]-6,7-diamine
CID 137105334
N-[3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,1'-cyclohexane]-5-yl]acetamide
CID 145079203
N-[3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-6-yl]acetamide
CID 145079335
N-[(3-chlorophenyl)methyl]-5-(2-methoxyethyl)spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine
CID 137105496
N-[(3-chlorophenyl)methyl]-5-prop-2-enylspiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine
CID 137146247
2-[(3-chlorophenyl)methylimino]-N-methylspiro[1,4-dihydroquinoline-3,4'-oxane]-8-carboxamide
CID 148774314
5,8-dichloro-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-imine
CID 137105338
2-[3-[(3-chlorophenyl)methylimino]-7-[2-(dimethylamino)ethyl]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-6-yl]-N,N-dimethylethanamine
CID 137104712

Frequently Asked Questions

What is the IUPAC name of N-[8-acetamido-3-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-5-yl]acetamide?
The IUPAC name of N-[8-acetamido-3-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-5-yl]acetamide (CID 137105329) is N-[8-acetamido-3-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-5-yl]acetamide.
What is the SMILES notation for N-[8-acetamido-3-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-5-yl]acetamide?
The canonical SMILES for N-[8-acetamido-3-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-5-yl]acetamide is CC(=O)Nc1ccc(NC(C)=O)c2c1N/C(=N\Cc1cccc(Cl)c1)C1(CCOCC1)N2.
What is the InChIKey of N-[8-acetamido-3-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-5-yl]acetamide?
The InChIKey is QQJNRDUTRLSOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O3/c1-14(30)26-18-6-7-19(27-15(2)31)21-20(18)28-22(23(29-21)8-10-32-11-9-23)25-13-16-4-3-5-17(24)12-16/h3-7,12,29H,8-11,13H2,1-2H3,(H,25,28)(H,26,30)(H,27,31).
What are the key properties of N-[8-acetamido-3-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-5-yl]acetamide?
N-[8-acetamido-3-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-5-yl]acetamide has a molecular weight of 455.95 g/mol, XLogP of 4.24, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-acetamido-3-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-5-yl]acetamide is sourced from PubChem (CID 137105329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).