(1R)-1-[4-[4-(6,7-dichloroquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol

C18H18Cl2N6O — CID 11761290

IUPAC(1R)-1-[4-[4-(6,7-dichloroquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESC[C@@H](O)c1nccc(N2CCN(c3cnc4cc(Cl)c(Cl)cc4n3)CC2)n1
InChIInChI=1S/C18H18Cl2N6O/c1-11(27)18-21-3-2-16(24-18)25-4-6-26(7-5-25)17-10-22-14-8-12(19)13(20)9-15(14)23-17/h2-3,8-11,27H,4-7H2,1H3/t11-/m1/s1
InChIKeyUMATXLGCAAEEBJ-LLVKDONJSA-N
MW405.29 g/mol
LogP3.11
Rot. Bonds3

About (1R)-1-[4-[4-(6,7-dichloroquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol

(1R)-1-[4-[4-(6,7-dichloroquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol (PubChem CID 11761290) has the molecular formula C18H18Cl2N6O and a molecular weight of 405.29 g/mol. Its IUPAC name is (1R)-1-[4-[4-(6,7-dichloroquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[4-(6,7-dichloroquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
PubChem CID11761290
Molecular FormulaC18H18Cl2N6O
Molecular Weight405.29 g/mol
Exact Mass404.09
IUPAC Name(1R)-1-[4-[4-(6,7-dichloroquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESC[C@@H](O)c1nccc(N2CCN(c3cnc4cc(Cl)c(Cl)cc4n3)CC2)n1
InChIInChI=1S/C18H18Cl2N6O/c1-11(27)18-21-3-2-16(24-18)25-4-6-26(7-5-25)17-10-22-14-8-12(19)13(20)9-15(14)23-17/h2-3,8-11,27H,4-7H2,1H3/t11-/m1/s1
InChIKeyUMATXLGCAAEEBJ-LLVKDONJSA-N
XLogP3.11
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1R)-1-[4-[4-(6,7-dichloroquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol with MolForge

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Related Compounds

1-[4-(3-Methyl-4-quinoxalin-2-yl-piperazin-1-yl)-pyrimidin-2-yl]-ethanol
CID 9946410
1-[4-(4-Quinoxalin-2-yl-piperazin-1-yl)-pyrimidin-2-yl]-ethanol
CID 11035075
[1-[3-[1-(7-Chloroquinoxalin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol
CID 58546776
1-[4-(2,6-Dimethyl-4-quinoxalin-2-yl-piperazin-1-yl)-pyrimidin-2-yl]-ethanol
CID 10937391
1-{4-[4-(3-Methyl-quinoxalin-2-yl)-piperazin-1-yl]-pyrimidin-2-yl}-ethanol
CID 11057232
6-[(3,4-dichloro-N-propan-2-ylanilino)methyl]pteridine-2,4-diamine
CID 12417557
[1-[3-[1-(6-Chloroquinoxalin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol
CID 58546708
6-[(3,4-dichloro-N-propylanilino)methyl]pteridine-2,4-diamine
CID 12417555
N-[[2,4-Diamino-6-pteridinyl]methyl]-N-[3,4-dichlorophenyl]formamide
CID 600154
2-[4-(3,4-Dichlorophenyl)piperazin-1-yl]quinoxaline
CID 3523251
6-[(3,4-dichloro-N-methylanilino)methyl]pteridine-2,4-diamine
CID 12417552
1-[5,6-Dichloro-1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-2,2,2-trifluoroethanol
CID 44430134

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[4-(6,7-dichloroquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
The IUPAC name of (1R)-1-[4-[4-(6,7-dichloroquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol (CID 11761290) is (1R)-1-[4-[4-(6,7-dichloroquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol.
What is the SMILES notation for (1R)-1-[4-[4-(6,7-dichloroquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
The canonical SMILES for (1R)-1-[4-[4-(6,7-dichloroquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol is C[C@@H](O)c1nccc(N2CCN(c3cnc4cc(Cl)c(Cl)cc4n3)CC2)n1.
What is the InChIKey of (1R)-1-[4-[4-(6,7-dichloroquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
The InChIKey is UMATXLGCAAEEBJ-LLVKDONJSA-N. The full InChI is InChI=1S/C18H18Cl2N6O/c1-11(27)18-21-3-2-16(24-18)25-4-6-26(7-5-25)17-10-22-14-8-12(19)13(20)9-15(14)23-17/h2-3,8-11,27H,4-7H2,1H3/t11-/m1/s1.
What are the key properties of (1R)-1-[4-[4-(6,7-dichloroquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
(1R)-1-[4-[4-(6,7-dichloroquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol has a molecular weight of 405.29 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[4-(6,7-dichloroquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol is sourced from PubChem (CID 11761290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).