N-[3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-6-yl]acetamide

C22H26N4O2 — CID 145079335

IUPACN-[3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-6-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)N/C(=N\Cc1cccc(C)c1)C1(CCOCC1)N2
InChIInChI=1S/C22H26N4O2/c1-15-4-3-5-17(12-15)14-23-21-22(8-10-28-11-9-22)26-19-7-6-18(24-16(2)27)13-20(19)25-21/h3-7,12-13,26H,8-11,14H2,1-2H3,(H,23,25)(H,24,27)
InChIKeyQCQYYUDHHDMECR-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.94
Rot. Bonds3

About N-[3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-6-yl]acetamide

N-[3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-6-yl]acetamide (PubChem CID 145079335) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-6-yl]acetamide.

Molecular Properties

Compound NameN-[3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-6-yl]acetamide
PubChem CID145079335
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-[3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-6-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)N/C(=N\Cc1cccc(C)c1)C1(CCOCC1)N2
InChIInChI=1S/C22H26N4O2/c1-15-4-3-5-17(12-15)14-23-21-22(8-10-28-11-9-22)26-19-7-6-18(24-16(2)27)13-20(19)25-21/h3-7,12-13,26H,8-11,14H2,1-2H3,(H,23,25)(H,24,27)
InChIKeyQCQYYUDHHDMECR-UHFFFAOYSA-N
XLogP3.94
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,1'-cyclohexane]-5-yl]acetamide
CID 145079203
8-methoxy-N-[(3-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine
CID 145079359
7-fluoro-N-[(3-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine
CID 145079242
3-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-6,7-dicarboxamide
CID 137105335
N-[8-acetamido-3-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-5-yl]acetamide
CID 137105329
7-methoxy-N-[(3-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine
CID 145079251
2-[3-[(3-chlorophenyl)methylimino]-7-[2-(dimethylamino)ethyl]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-6-yl]-N,N-dimethylethanamine
CID 137104712
N,N-dimethyl-3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-piperidine]-5-carboxamide
CID 145079350
N-[(2,3-dimethylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine
CID 137105092
3-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,1'-cyclohexane]-6-carboxamide
CID 137105165
N,N-dimethyl-3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-piperidine]-5-amine
CID 145079424

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-6-yl]acetamide?
The IUPAC name of N-[3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-6-yl]acetamide (CID 145079335) is N-[3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-6-yl]acetamide.
What is the SMILES notation for N-[3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-6-yl]acetamide?
The canonical SMILES for N-[3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-6-yl]acetamide is CC(=O)Nc1ccc2c(c1)N/C(=N\Cc1cccc(C)c1)C1(CCOCC1)N2.
What is the InChIKey of N-[3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-6-yl]acetamide?
The InChIKey is QCQYYUDHHDMECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-15-4-3-5-17(12-15)14-23-21-22(8-10-28-11-9-22)26-19-7-6-18(24-16(2)27)13-20(19)25-21/h3-7,12-13,26H,8-11,14H2,1-2H3,(H,23,25)(H,24,27).
What are the key properties of N-[3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-6-yl]acetamide?
N-[3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-6-yl]acetamide has a molecular weight of 378.48 g/mol, XLogP of 3.94, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-methylphenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-6-yl]acetamide is sourced from PubChem (CID 145079335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).