6-chloro-1,2,3,4-tetrahydroquinoxaline

C8H9ClN2 — CID 3056886

IUPAC6-chloro-1,2,3,4-tetrahydroquinoxaline
SMILESClc1ccc2c(c1)NCCN2
InChIInChI=1S/C8H9ClN2/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5,10-11H,3-4H2
InChIKeySBWVMNMIHNOTET-UHFFFAOYSA-N
MW168.63 g/mol
LogP2.18
Rot. Bonds

About 6-chloro-1,2,3,4-tetrahydroquinoxaline

6-chloro-1,2,3,4-tetrahydroquinoxaline (PubChem CID 3056886) has the molecular formula C8H9ClN2 and a molecular weight of 168.63 g/mol. Its IUPAC name is 6-chloro-1,2,3,4-tetrahydroquinoxaline.

Molecular Properties

Compound Name6-chloro-1,2,3,4-tetrahydroquinoxaline
PubChem CID3056886
Molecular FormulaC8H9ClN2
Molecular Weight168.63 g/mol
Exact Mass168.05
IUPAC Name6-chloro-1,2,3,4-tetrahydroquinoxaline
SMILESClc1ccc2c(c1)NCCN2
InChIInChI=1S/C8H9ClN2/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5,10-11H,3-4H2
InChIKeySBWVMNMIHNOTET-UHFFFAOYSA-N
XLogP2.18
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.63
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Chlorophenyl)piperazine
CID 1355
6-Chloro-1,4-dihydro-2,3-quinoxalinedione
CID 81143
1-(3-Chlorophenyl)piperazine monohydrochloride
CID 25681
1-(2-Chlorophenyl)piperazine
CID 415628
1-(4-Chlorophenyl)piperazine
CID 97478
1-(3-Chlorophenyl)piperazine dihydrochloride
CID 11957487
1-(4-Chlorophenyl)-2-methylpiperazine
CID 98289
1-(3,4-Dichlorophenyl)piperazine
CID 93601
N-(4-chlorophenyl)benzene-1,2-diamine
CID 522323
1-(3,5-Dichlorophenyl)piperazine
CID 2736067
1,2,3,4-Tetrahydroquinoxaline
CID 77028
1-(3-Chloro-phenyl)-4-pentyl-piperazine
CID 14960350

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,2,3,4-tetrahydroquinoxaline?
The IUPAC name of 6-chloro-1,2,3,4-tetrahydroquinoxaline (CID 3056886) is 6-chloro-1,2,3,4-tetrahydroquinoxaline.
What is the SMILES notation for 6-chloro-1,2,3,4-tetrahydroquinoxaline?
The canonical SMILES for 6-chloro-1,2,3,4-tetrahydroquinoxaline is Clc1ccc2c(c1)NCCN2.
What is the InChIKey of 6-chloro-1,2,3,4-tetrahydroquinoxaline?
The InChIKey is SBWVMNMIHNOTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5,10-11H,3-4H2.
What are the key properties of 6-chloro-1,2,3,4-tetrahydroquinoxaline?
6-chloro-1,2,3,4-tetrahydroquinoxaline has a molecular weight of 168.63 g/mol, XLogP of 2.18, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,2,3,4-tetrahydroquinoxaline is sourced from PubChem (CID 3056886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).