[(4R,4aR,8aR)-4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-aminopyrazin-2-yl)methanone

C15H22N4O — CID 97092506

IUPAC[(4R,4aR,8aR)-4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-aminopyrazin-2-yl)methanone
SMILESC[C@@H]1CCN(C(=O)c2nccnc2N)[C@@H]2CCCC[C@H]12
InChIInChI=1S/C15H22N4O/c1-10-6-9-19(12-5-3-2-4-11(10)12)15(20)13-14(16)18-8-7-17-13/h7-8,10-12H,2-6,9H2,1H3,(H2,16,18)/t10-,11-,12-/m1/s1
InChIKeyQNKVFMWVSUHKDK-IJLUTSLNSA-N
MW274.37 g/mol
LogP2.10
Rot. Bonds1

About [(4R,4aR,8aR)-4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-aminopyrazin-2-yl)methanone

[(4R,4aR,8aR)-4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-aminopyrazin-2-yl)methanone (PubChem CID 97092506) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is [(4R,4aR,8aR)-4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-aminopyrazin-2-yl)methanone.

Molecular Properties

Compound Name[(4R,4aR,8aR)-4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-aminopyrazin-2-yl)methanone
PubChem CID97092506
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name[(4R,4aR,8aR)-4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-aminopyrazin-2-yl)methanone
SMILESC[C@@H]1CCN(C(=O)c2nccnc2N)[C@@H]2CCCC[C@H]12
InChIInChI=1S/C15H22N4O/c1-10-6-9-19(12-5-3-2-4-11(10)12)15(20)13-14(16)18-8-7-17-13/h7-8,10-12H,2-6,9H2,1H3,(H2,16,18)/t10-,11-,12-/m1/s1
InChIKeyQNKVFMWVSUHKDK-IJLUTSLNSA-N
XLogP2.10
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(4R,4aR,8aR)-4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-aminopyrazin-2-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(4R,4aR,8aR)-4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-aminopyrazin-2-yl)methanone?
The IUPAC name of [(4R,4aR,8aR)-4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-aminopyrazin-2-yl)methanone (CID 97092506) is [(4R,4aR,8aR)-4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-aminopyrazin-2-yl)methanone.
What is the SMILES notation for [(4R,4aR,8aR)-4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-aminopyrazin-2-yl)methanone?
The canonical SMILES for [(4R,4aR,8aR)-4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-aminopyrazin-2-yl)methanone is C[C@@H]1CCN(C(=O)c2nccnc2N)[C@@H]2CCCC[C@H]12.
What is the InChIKey of [(4R,4aR,8aR)-4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-aminopyrazin-2-yl)methanone?
The InChIKey is QNKVFMWVSUHKDK-IJLUTSLNSA-N. The full InChI is InChI=1S/C15H22N4O/c1-10-6-9-19(12-5-3-2-4-11(10)12)15(20)13-14(16)18-8-7-17-13/h7-8,10-12H,2-6,9H2,1H3,(H2,16,18)/t10-,11-,12-/m1/s1.
What are the key properties of [(4R,4aR,8aR)-4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-aminopyrazin-2-yl)methanone?
[(4R,4aR,8aR)-4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-aminopyrazin-2-yl)methanone has a molecular weight of 274.37 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,4aR,8aR)-4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-aminopyrazin-2-yl)methanone is sourced from PubChem (CID 97092506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).