(6aR)-8-benzyl-3-bromo-4-ethyl-5,6,6a,7,9,10-hexahydropyrazino[1,2-a][1,8]naphthyridine

C20H24BrN3 — CID 134265673

IUPAC(6aR)-8-benzyl-3-bromo-4-ethyl-5,6,6a,7,9,10-hexahydropyrazino[1,2-a][1,8]naphthyridine
SMILESCCc1c(Br)cnc2c1CC[C@@H]1CN(Cc3ccccc3)CCN21
InChIInChI=1S/C20H24BrN3/c1-2-17-18-9-8-16-14-23(13-15-6-4-3-5-7-15)10-11-24(16)20(18)22-12-19(17)21/h3-7,12,16H,2,8-11,13-14H2,1H3/t16-/m1/s1
InChIKeyIMPOAWAOXWSJEP-MRXNPFEDSA-N
MW386.34 g/mol
LogP4.04
Rot. Bonds3

About (6aR)-8-benzyl-3-bromo-4-ethyl-5,6,6a,7,9,10-hexahydropyrazino[1,2-a][1,8]naphthyridine

(6aR)-8-benzyl-3-bromo-4-ethyl-5,6,6a,7,9,10-hexahydropyrazino[1,2-a][1,8]naphthyridine (PubChem CID 134265673) has the molecular formula C20H24BrN3 and a molecular weight of 386.34 g/mol. Its IUPAC name is (6aR)-8-benzyl-3-bromo-4-ethyl-5,6,6a,7,9,10-hexahydropyrazino[1,2-a][1,8]naphthyridine.

Molecular Properties

Compound Name(6aR)-8-benzyl-3-bromo-4-ethyl-5,6,6a,7,9,10-hexahydropyrazino[1,2-a][1,8]naphthyridine
PubChem CID134265673
Molecular FormulaC20H24BrN3
Molecular Weight386.34 g/mol
Exact Mass385.12
IUPAC Name(6aR)-8-benzyl-3-bromo-4-ethyl-5,6,6a,7,9,10-hexahydropyrazino[1,2-a][1,8]naphthyridine
SMILESCCc1c(Br)cnc2c1CC[C@@H]1CN(Cc3ccccc3)CCN21
InChIInChI=1S/C20H24BrN3/c1-2-17-18-9-8-16-14-23(13-15-6-4-3-5-7-15)10-11-24(16)20(18)22-12-19(17)21/h3-7,12,16H,2,8-11,13-14H2,1H3/t16-/m1/s1
InChIKeyIMPOAWAOXWSJEP-MRXNPFEDSA-N
XLogP4.04
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.34
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-benzyl-5,6,6a,7,9,10-hexahydropyrazino[1,2-a][1,8]naphthyridin-4-yl)butanamide
CID 134265614
2-benzyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 10492024
7-benzhydrylidene-2-benzyl-1,3,4,8,9,9a-hexahydropyrido[1,2-a]pyrazin-6-one
CID 11742203
11-benzyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene
CID 67154993
3-benzyl-7-methyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a][1,5]benzodiazepine
CID 67001528
(4aR)-3-benzyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-8-carboxylic acid
CID 68803609
2-benzyl-7-bromo-10-methoxy-3,4,11,11a-tetrahydro-1H-pyrazino[1,2-b]isoquinolin-6-one
CID 68690023
(6R)-1-benzyl-4-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-6-ol
CID 99974314
1-benzyl-3-[(4-ethylphenyl)methyl]piperidin-4-ol
CID 110538160
7-benzhydrylidene-2-benzyl-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazine
CID 10023572
1-benzyl-3-ethylpiperidin-4-ol
CID 23003710
8-[[2-(4-chlorophenyl)phenyl]methyl]-5,6,6a,7,9,10-hexahydropyrazino[1,2-a][1,8]naphthyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 67155039

Frequently Asked Questions

What is the IUPAC name of (6aR)-8-benzyl-3-bromo-4-ethyl-5,6,6a,7,9,10-hexahydropyrazino[1,2-a][1,8]naphthyridine?
The IUPAC name of (6aR)-8-benzyl-3-bromo-4-ethyl-5,6,6a,7,9,10-hexahydropyrazino[1,2-a][1,8]naphthyridine (CID 134265673) is (6aR)-8-benzyl-3-bromo-4-ethyl-5,6,6a,7,9,10-hexahydropyrazino[1,2-a][1,8]naphthyridine.
What is the SMILES notation for (6aR)-8-benzyl-3-bromo-4-ethyl-5,6,6a,7,9,10-hexahydropyrazino[1,2-a][1,8]naphthyridine?
The canonical SMILES for (6aR)-8-benzyl-3-bromo-4-ethyl-5,6,6a,7,9,10-hexahydropyrazino[1,2-a][1,8]naphthyridine is CCc1c(Br)cnc2c1CC[C@@H]1CN(Cc3ccccc3)CCN21.
What is the InChIKey of (6aR)-8-benzyl-3-bromo-4-ethyl-5,6,6a,7,9,10-hexahydropyrazino[1,2-a][1,8]naphthyridine?
The InChIKey is IMPOAWAOXWSJEP-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24BrN3/c1-2-17-18-9-8-16-14-23(13-15-6-4-3-5-7-15)10-11-24(16)20(18)22-12-19(17)21/h3-7,12,16H,2,8-11,13-14H2,1H3/t16-/m1/s1.
What are the key properties of (6aR)-8-benzyl-3-bromo-4-ethyl-5,6,6a,7,9,10-hexahydropyrazino[1,2-a][1,8]naphthyridine?
(6aR)-8-benzyl-3-bromo-4-ethyl-5,6,6a,7,9,10-hexahydropyrazino[1,2-a][1,8]naphthyridine has a molecular weight of 386.34 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-8-benzyl-3-bromo-4-ethyl-5,6,6a,7,9,10-hexahydropyrazino[1,2-a][1,8]naphthyridine is sourced from PubChem (CID 134265673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).