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

C19H20BrClN4 — CID 137104906

IUPAC7-bromo-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
SMILESClc1cccc(C/N=C2\Nc3cc(Br)ccc3NC23CCNCC3)c1
InChIInChI=1S/C19H20BrClN4/c20-14-4-5-16-17(11-14)24-18(19(25-16)6-8-22-9-7-19)23-12-13-2-1-3-15(21)10-13/h1-5,10-11,22,25H,6-9,12H2,(H,23,24)
InChIKeyMFIJHQVHIFMOPA-UHFFFAOYSA-N
MW419.75 g/mol
LogP4.66
Rot. Bonds2

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

7-bromo-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine (PubChem CID 137104906) has the molecular formula C19H20BrClN4 and a molecular weight of 419.75 g/mol. Its IUPAC name is 7-bromo-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine.

Molecular Properties

Compound Name7-bromo-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
PubChem CID137104906
Molecular FormulaC19H20BrClN4
Molecular Weight419.75 g/mol
Exact Mass418.06
IUPAC Name7-bromo-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
SMILESClc1cccc(C/N=C2\Nc3cc(Br)ccc3NC23CCNCC3)c1
InChIInChI=1S/C19H20BrClN4/c20-14-4-5-16-17(11-14)24-18(19(25-16)6-8-22-9-7-19)23-12-13-2-1-3-15(21)10-13/h1-5,10-11,22,25H,6-9,12H2,(H,23,24)
InChIKeyMFIJHQVHIFMOPA-UHFFFAOYSA-N
XLogP4.66
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.75
LogP ≤ 54.66
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-3,1'-cyclohexane]-2-imine
CID 137105166
6,7-dibromo-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
CID 137105442
3-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-piperidine]-6-carbonitrile
CID 137104901
N-[(3-chlorophenyl)methyl]-7-prop-1-enylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
CID 137122971
N-[(3-chlorophenyl)methyl]-6,7-dimethoxyspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
CID 137105266
N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-azepane]-2-imine;ethane
CID 145079494
N-[(3-chlorophenyl)methyl]-6-(2-methoxyethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
CID 137100510
N-[(4-bromophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
CID 137105248
6,7-dichloro-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-imine
CID 137032040
N-[(3-chlorophenyl)methyl]-7-methoxyspiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-imine
CID 137105136
5-chloro-N-[(3-chlorophenyl)methyl]spiro[2,3,7,10-tetrahydro-[1,4]dioxino[2,3-f]quinoxaline-9,4'-piperidine]-8-imine
CID 137105450
N-[(3-chlorophenyl)methyl]-6,7-dimethylspiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-imine
CID 137105099

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine?
The IUPAC name of 7-bromo-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine (CID 137104906) is 7-bromo-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine.
What is the SMILES notation for 7-bromo-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine?
The canonical SMILES for 7-bromo-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine is Clc1cccc(C/N=C2\Nc3cc(Br)ccc3NC23CCNCC3)c1.
What is the InChIKey of 7-bromo-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine?
The InChIKey is MFIJHQVHIFMOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrClN4/c20-14-4-5-16-17(11-14)24-18(19(25-16)6-8-22-9-7-19)23-12-13-2-1-3-15(21)10-13/h1-5,10-11,22,25H,6-9,12H2,(H,23,24).
What are the key properties of 7-bromo-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine?
7-bromo-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine has a molecular weight of 419.75 g/mol, XLogP of 4.66, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine is sourced from PubChem (CID 137104906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).