6-(1,4-diazepan-1-yl)pyrrolo[1,2-a]quinoxaline

C16H18N4 — CID 67626100

IUPAC6-(1,4-diazepan-1-yl)pyrrolo[1,2-a]quinoxaline
SMILESc1cc(N2CCCNCC2)c2ncc3cccn3c2c1
InChIInChI=1S/C16H18N4/c1-5-14(19-9-3-7-17-8-11-19)16-15(6-1)20-10-2-4-13(20)12-18-16/h1-2,4-6,10,12,17H,3,7-9,11H2
InChIKeyLTZQOMOHKOKZCG-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.29
Rot. Bonds1

About 6-(1,4-diazepan-1-yl)pyrrolo[1,2-a]quinoxaline

6-(1,4-diazepan-1-yl)pyrrolo[1,2-a]quinoxaline (PubChem CID 67626100) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 6-(1,4-diazepan-1-yl)pyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name6-(1,4-diazepan-1-yl)pyrrolo[1,2-a]quinoxaline
PubChem CID67626100
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name6-(1,4-diazepan-1-yl)pyrrolo[1,2-a]quinoxaline
SMILESc1cc(N2CCCNCC2)c2ncc3cccn3c2c1
InChIInChI=1S/C16H18N4/c1-5-14(19-9-3-7-17-8-11-19)16-15(6-1)20-10-2-4-13(20)12-18-16/h1-2,4-6,10,12,17H,3,7-9,11H2
InChIKeyLTZQOMOHKOKZCG-UHFFFAOYSA-N
XLogP2.29
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,4-diazepan-1-yl)-1H-benzimidazole
CID 13180229
pyrrolidin-1-yl(pyrrolo[1,2-a]quinoxalin-6-yl)methanone
CID 150361115
3-methyl-6-(4-phenylpiperidin-1-yl)pyrrolo[1,2-a]quinoxaline
CID 67627091
1-(2,3-difluorophenyl)-1,4-diazepane;dihydrochloride
CID 119057105
3-chloro-6-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline
CID 67625625
1-methyl-2-phenyl-4-piperazin-1-ylbenzimidazole
CID 175763728
1-(2-bromo-3-chlorophenyl)-1,4-diazepane
CID 103481679
4-piperazin-1-yl-1H-benzimidazole;trihydrobromide
CID 3069489
8-piperazin-1-ylquinoline-3-carboxamide
CID 154407057
1-ethyl-4-piperazin-1-ylbenzotriazole
CID 84726444
1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide
CID 118703673
4-(1,4-diazepan-1-yl)quinoline
CID 61339543

Frequently Asked Questions

What is the IUPAC name of 6-(1,4-diazepan-1-yl)pyrrolo[1,2-a]quinoxaline?
The IUPAC name of 6-(1,4-diazepan-1-yl)pyrrolo[1,2-a]quinoxaline (CID 67626100) is 6-(1,4-diazepan-1-yl)pyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 6-(1,4-diazepan-1-yl)pyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 6-(1,4-diazepan-1-yl)pyrrolo[1,2-a]quinoxaline is c1cc(N2CCCNCC2)c2ncc3cccn3c2c1.
What is the InChIKey of 6-(1,4-diazepan-1-yl)pyrrolo[1,2-a]quinoxaline?
The InChIKey is LTZQOMOHKOKZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-5-14(19-9-3-7-17-8-11-19)16-15(6-1)20-10-2-4-13(20)12-18-16/h1-2,4-6,10,12,17H,3,7-9,11H2.
What are the key properties of 6-(1,4-diazepan-1-yl)pyrrolo[1,2-a]quinoxaline?
6-(1,4-diazepan-1-yl)pyrrolo[1,2-a]quinoxaline has a molecular weight of 266.35 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,4-diazepan-1-yl)pyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 67626100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).