6,7-dichloro-2-[(3R)-3-propan-2-ylpiperazin-1-yl]quinoxaline

C15H18Cl2N4 — CID 129409920

IUPAC6,7-dichloro-2-[(3R)-3-propan-2-ylpiperazin-1-yl]quinoxaline
SMILESCC(C)[C@@H]1CN(c2cnc3cc(Cl)c(Cl)cc3n2)CCN1
InChIInChI=1S/C15H18Cl2N4/c1-9(2)14-8-21(4-3-18-14)15-7-19-12-5-10(16)11(17)6-13(12)20-15/h5-7,9,14,18H,3-4,8H2,1-2H3/t14-/m0/s1
InChIKeyKJQIYKFGEGQONM-AWEZNQCLSA-N
MW325.24 g/mol
LogP3.37
Rot. Bonds2

About 6,7-dichloro-2-[(3R)-3-propan-2-ylpiperazin-1-yl]quinoxaline

6,7-dichloro-2-[(3R)-3-propan-2-ylpiperazin-1-yl]quinoxaline (PubChem CID 129409920) has the molecular formula C15H18Cl2N4 and a molecular weight of 325.24 g/mol. Its IUPAC name is 6,7-dichloro-2-[(3R)-3-propan-2-ylpiperazin-1-yl]quinoxaline.

Molecular Properties

Compound Name6,7-dichloro-2-[(3R)-3-propan-2-ylpiperazin-1-yl]quinoxaline
PubChem CID129409920
Molecular FormulaC15H18Cl2N4
Molecular Weight325.24 g/mol
Exact Mass324.09
IUPAC Name6,7-dichloro-2-[(3R)-3-propan-2-ylpiperazin-1-yl]quinoxaline
SMILESCC(C)[C@@H]1CN(c2cnc3cc(Cl)c(Cl)cc3n2)CCN1
InChIInChI=1S/C15H18Cl2N4/c1-9(2)14-8-21(4-3-18-14)15-7-19-12-5-10(16)11(17)6-13(12)20-15/h5-7,9,14,18H,3-4,8H2,1-2H3/t14-/m0/s1
InChIKeyKJQIYKFGEGQONM-AWEZNQCLSA-N
XLogP3.37
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-dimethyl-2-[(3R)-3-propan-2-ylpiperazin-1-yl]quinoxaline
CID 129409860
2-[(3R)-3-propan-2-ylpiperazin-1-yl]-8-(trifluoromethyl)quinoxaline
CID 129409832
1-(2-chloro-4-fluorophenyl)-3-propan-2-ylpiperazine
CID 64924670
2-[(3R)-3-propan-2-ylpiperazin-1-yl]-1,8-naphthyridine
CID 129391744
4-(6,7-dichloroquinoxalin-2-yl)-3-ethylpiperazin-2-one
CID 167888729
6-(6,7-dichloroquinoxalin-2-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 84599400
6,7-dichloro-2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]quinoxaline
CID 127805767
2-[(3R)-3-ethylpiperazin-1-yl]quinoxaline
CID 129409830
1-methyl-2-[(3S)-3-propan-2-ylpiperazin-1-yl]benzimidazole
CID 129391666
3-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine
CID 80505348
N-cyclopentyl-1-(6,7-dichloroquinoxalin-2-yl)piperidine-3-sulfonamide
CID 133463706
4-(6,7-dichloroquinoxalin-2-yl)-2,2-dimethyl-1,4-thiazinane 1-oxide
CID 84599367

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-2-[(3R)-3-propan-2-ylpiperazin-1-yl]quinoxaline?
The IUPAC name of 6,7-dichloro-2-[(3R)-3-propan-2-ylpiperazin-1-yl]quinoxaline (CID 129409920) is 6,7-dichloro-2-[(3R)-3-propan-2-ylpiperazin-1-yl]quinoxaline.
What is the SMILES notation for 6,7-dichloro-2-[(3R)-3-propan-2-ylpiperazin-1-yl]quinoxaline?
The canonical SMILES for 6,7-dichloro-2-[(3R)-3-propan-2-ylpiperazin-1-yl]quinoxaline is CC(C)[C@@H]1CN(c2cnc3cc(Cl)c(Cl)cc3n2)CCN1.
What is the InChIKey of 6,7-dichloro-2-[(3R)-3-propan-2-ylpiperazin-1-yl]quinoxaline?
The InChIKey is KJQIYKFGEGQONM-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18Cl2N4/c1-9(2)14-8-21(4-3-18-14)15-7-19-12-5-10(16)11(17)6-13(12)20-15/h5-7,9,14,18H,3-4,8H2,1-2H3/t14-/m0/s1.
What are the key properties of 6,7-dichloro-2-[(3R)-3-propan-2-ylpiperazin-1-yl]quinoxaline?
6,7-dichloro-2-[(3R)-3-propan-2-ylpiperazin-1-yl]quinoxaline has a molecular weight of 325.24 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-2-[(3R)-3-propan-2-ylpiperazin-1-yl]quinoxaline is sourced from PubChem (CID 129409920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).