N-[(3-chlorophenyl)methyl]-7-prop-1-enylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine

C22H25ClN4 — CID 137122971

IUPACN-[(3-chlorophenyl)methyl]-7-prop-1-enylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
SMILESCC=Cc1ccc2c(c1)N/C(=N\Cc1cccc(Cl)c1)C1(CCNCC1)N2
InChIInChI=1S/C22H25ClN4/c1-2-4-16-7-8-19-20(14-16)26-21(22(27-19)9-11-24-12-10-22)25-15-17-5-3-6-18(23)13-17/h2-8,13-14,24,27H,9-12,15H2,1H3,(H,25,26)
InChIKeyLRBPHYINDAXIKS-UHFFFAOYSA-N
MW380.92 g/mol
LogP4.93
Rot. Bonds3

About N-[(3-chlorophenyl)methyl]-7-prop-1-enylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine

N-[(3-chlorophenyl)methyl]-7-prop-1-enylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine (PubChem CID 137122971) has the molecular formula C22H25ClN4 and a molecular weight of 380.92 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-7-prop-1-enylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-7-prop-1-enylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
PubChem CID137122971
Molecular FormulaC22H25ClN4
Molecular Weight380.92 g/mol
Exact Mass380.18
IUPAC NameN-[(3-chlorophenyl)methyl]-7-prop-1-enylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
SMILESCC=Cc1ccc2c(c1)N/C(=N\Cc1cccc(Cl)c1)C1(CCNCC1)N2
InChIInChI=1S/C22H25ClN4/c1-2-4-16-7-8-19-20(14-16)26-21(22(27-19)9-11-24-12-10-22)25-15-17-5-3-6-18(23)13-17/h2-8,13-14,24,27H,9-12,15H2,1H3,(H,25,26)
InChIKeyLRBPHYINDAXIKS-UHFFFAOYSA-N
XLogP4.93
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-bromo-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
CID 137104906
3-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-piperidine]-6-carbonitrile
CID 137104901
6,7-dibromo-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
CID 137105442
N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-azepane]-2-imine;ethane
CID 145079494
N-[(3-chlorophenyl)methyl]-6,7-dimethoxyspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
CID 137105266
N-[(3-chlorophenyl)methyl]-6-(2-methoxyethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
CID 137100510
7-bromo-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine
CID 137105166
N-[(3-chlorophenyl)methyl]-7-methoxyspiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-imine
CID 137105136
N-[(3-chlorophenyl)methyl]-6,7-dimethylspiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-imine
CID 137105099
6,7-dichloro-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-imine
CID 137032040
1-[7-acetyl-3-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,1'-cyclohexane]-6-yl]ethanone
CID 147248980
N-[(3-chlorophenyl)methyl]-7-(2-methoxyethyl)spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine
CID 137105405

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-7-prop-1-enylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-7-prop-1-enylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine (CID 137122971) is N-[(3-chlorophenyl)methyl]-7-prop-1-enylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-7-prop-1-enylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-7-prop-1-enylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine is CC=Cc1ccc2c(c1)N/C(=N\Cc1cccc(Cl)c1)C1(CCNCC1)N2.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-7-prop-1-enylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine?
The InChIKey is LRBPHYINDAXIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4/c1-2-4-16-7-8-19-20(14-16)26-21(22(27-19)9-11-24-12-10-22)25-15-17-5-3-6-18(23)13-17/h2-8,13-14,24,27H,9-12,15H2,1H3,(H,25,26).
What are the key properties of N-[(3-chlorophenyl)methyl]-7-prop-1-enylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine?
N-[(3-chlorophenyl)methyl]-7-prop-1-enylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine has a molecular weight of 380.92 g/mol, XLogP of 4.93, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-7-prop-1-enylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine is sourced from PubChem (CID 137122971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).