N-[(3-chlorophenyl)methyl]-6-(2-methoxyethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine

C22H27ClN4O — CID 137100510

IUPACN-[(3-chlorophenyl)methyl]-6-(2-methoxyethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
SMILESCOCCc1ccc2c(c1)NC1(CCNCC1)/C(=N/Cc1cccc(Cl)c1)N2
InChIInChI=1S/C22H27ClN4O/c1-28-12-7-16-5-6-19-20(14-16)27-22(8-10-24-11-9-22)21(26-19)25-15-17-3-2-4-18(23)13-17/h2-6,13-14,24,27H,7-12,15H2,1H3,(H,25,26)
InChIKeyPUFHTXVQGANDRA-UHFFFAOYSA-N
MW398.94 g/mol
LogP4.09
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-6-(2-methoxyethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine

N-[(3-chlorophenyl)methyl]-6-(2-methoxyethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine (PubChem CID 137100510) has the molecular formula C22H27ClN4O and a molecular weight of 398.94 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-6-(2-methoxyethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-6-(2-methoxyethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
PubChem CID137100510
Molecular FormulaC22H27ClN4O
Molecular Weight398.94 g/mol
Exact Mass398.19
IUPAC NameN-[(3-chlorophenyl)methyl]-6-(2-methoxyethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
SMILESCOCCc1ccc2c(c1)NC1(CCNCC1)/C(=N/Cc1cccc(Cl)c1)N2
InChIInChI=1S/C22H27ClN4O/c1-28-12-7-16-5-6-19-20(14-16)27-22(8-10-24-11-9-22)21(26-19)25-15-17-3-2-4-18(23)13-17/h2-6,13-14,24,27H,7-12,15H2,1H3,(H,25,26)
InChIKeyPUFHTXVQGANDRA-UHFFFAOYSA-N
XLogP4.09
TPSA57.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.94
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-6-(2-methoxyethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-6-(2-methoxyethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine (CID 137100510) is N-[(3-chlorophenyl)methyl]-6-(2-methoxyethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-6-(2-methoxyethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-6-(2-methoxyethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine is COCCc1ccc2c(c1)NC1(CCNCC1)/C(=N/Cc1cccc(Cl)c1)N2.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-6-(2-methoxyethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine?
The InChIKey is PUFHTXVQGANDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O/c1-28-12-7-16-5-6-19-20(14-16)27-22(8-10-24-11-9-22)21(26-19)25-15-17-3-2-4-18(23)13-17/h2-6,13-14,24,27H,7-12,15H2,1H3,(H,25,26).
What are the key properties of N-[(3-chlorophenyl)methyl]-6-(2-methoxyethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine?
N-[(3-chlorophenyl)methyl]-6-(2-methoxyethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine has a molecular weight of 398.94 g/mol, XLogP of 4.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-6-(2-methoxyethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine is sourced from PubChem (CID 137100510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).