(4aR)-3-[(2-phenylphenyl)methyl]-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline

C25H26N2 — CID 151381048

IUPAC(4aR)-3-[(2-phenylphenyl)methyl]-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline
SMILESc1ccc(-c2ccccc2CN2CCN3c4ccccc4CC[C@@H]3C2)cc1
InChIInChI=1S/C25H26N2/c1-2-8-20(9-3-1)24-12-6-4-11-22(24)18-26-16-17-27-23(19-26)15-14-21-10-5-7-13-25(21)27/h1-13,23H,14-19H2/t23-/m1/s1
InChIKeyOSKNRHNPDKZLQL-HSZRJFAPSA-N
MW354.50 g/mol
LogP4.99
Rot. Bonds3

About (4aR)-3-[(2-phenylphenyl)methyl]-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline

(4aR)-3-[(2-phenylphenyl)methyl]-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline (PubChem CID 151381048) has the molecular formula C25H26N2 and a molecular weight of 354.50 g/mol. Its IUPAC name is (4aR)-3-[(2-phenylphenyl)methyl]-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline.

Molecular Properties

Compound Name(4aR)-3-[(2-phenylphenyl)methyl]-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline
PubChem CID151381048
Molecular FormulaC25H26N2
Molecular Weight354.50 g/mol
Exact Mass354.21
IUPAC Name(4aR)-3-[(2-phenylphenyl)methyl]-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline
SMILESc1ccc(-c2ccccc2CN2CCN3c4ccccc4CC[C@@H]3C2)cc1
InChIInChI=1S/C25H26N2/c1-2-8-20(9-3-1)24-12-6-4-11-22(24)18-26-16-17-27-23(19-26)15-14-21-10-5-7-13-25(21)27/h1-13,23H,14-19H2/t23-/m1/s1
InChIKeyOSKNRHNPDKZLQL-HSZRJFAPSA-N
XLogP4.99
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4aR)-3-[(2-phenylphenyl)methyl]-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline with MolForge

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Related Compounds

(4aS)-3-[[2-(4-chlorophenyl)phenyl]methyl]-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-7-carboxylic acid
CID 69324075
2-[2-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)ethyl]isoindole-1,3-dione
CID 139703019
4-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)butan-2-ol
CID 21116508
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
3-benzyl-6-[(2-chlorophenyl)methyl]-1,2,4,4a,5,7-hexahydropyrazino[1,2-a][1,4]benzodiazepine
CID 67001454
3-[(2-phenoxyphenyl)methyl]-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-8-carboxylic acid
CID 68802071
(4aR)-3-benzyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-8-carboxylic acid
CID 68803609
(4S,9aR)-4-methyl-8-[(2-phenylphenyl)methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 155909122
(4aR)-3-(2-pyridin-2-ylethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline
CID 125482012
(4aS)-N-[3-nitro-4-(3-phenylpropylamino)phenyl]sulfonyl-3-[(2-phenylphenyl)methyl]-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-8-carboxamide
CID 68802623
1-[(2-phenylphenyl)methyl]azetidin-3-ol
CID 141021378
2-benzyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 10492024

Frequently Asked Questions

What is the IUPAC name of (4aR)-3-[(2-phenylphenyl)methyl]-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline?
The IUPAC name of (4aR)-3-[(2-phenylphenyl)methyl]-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline (CID 151381048) is (4aR)-3-[(2-phenylphenyl)methyl]-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline.
What is the SMILES notation for (4aR)-3-[(2-phenylphenyl)methyl]-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline?
The canonical SMILES for (4aR)-3-[(2-phenylphenyl)methyl]-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline is c1ccc(-c2ccccc2CN2CCN3c4ccccc4CC[C@@H]3C2)cc1.
What is the InChIKey of (4aR)-3-[(2-phenylphenyl)methyl]-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline?
The InChIKey is OSKNRHNPDKZLQL-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H26N2/c1-2-8-20(9-3-1)24-12-6-4-11-22(24)18-26-16-17-27-23(19-26)15-14-21-10-5-7-13-25(21)27/h1-13,23H,14-19H2/t23-/m1/s1.
What are the key properties of (4aR)-3-[(2-phenylphenyl)methyl]-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline?
(4aR)-3-[(2-phenylphenyl)methyl]-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline has a molecular weight of 354.50 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR)-3-[(2-phenylphenyl)methyl]-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline is sourced from PubChem (CID 151381048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).