(2R)-N-(6-methylquinoxalin-2-yl)spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-amine

C19H23N5 — CID 141251242

IUPAC(2R)-N-(6-methylquinoxalin-2-yl)spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-amine
SMILESCc1ccc2nc(NC3=CC[C@@]4(CN5CCC4CC5)N3)cnc2c1
InChIInChI=1S/C19H23N5/c1-13-2-3-15-16(10-13)20-11-18(21-15)22-17-4-7-19(23-17)12-24-8-5-14(19)6-9-24/h2-4,10-11,14,23H,5-9,12H2,1H3,(H,21,22)/t19-/m0/s1
InChIKeyVDWBWTKMDCDDPQ-IBGZPJMESA-N
MW321.43 g/mol
LogP2.65
Rot. Bonds2

About (2R)-N-(6-methylquinoxalin-2-yl)spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-amine

(2R)-N-(6-methylquinoxalin-2-yl)spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-amine (PubChem CID 141251242) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is (2R)-N-(6-methylquinoxalin-2-yl)spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-amine.

Molecular Properties

Compound Name(2R)-N-(6-methylquinoxalin-2-yl)spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-amine
PubChem CID141251242
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name(2R)-N-(6-methylquinoxalin-2-yl)spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-amine
SMILESCc1ccc2nc(NC3=CC[C@@]4(CN5CCC4CC5)N3)cnc2c1
InChIInChI=1S/C19H23N5/c1-13-2-3-15-16(10-13)20-11-18(21-15)22-17-4-7-19(23-17)12-24-8-5-14(19)6-9-24/h2-4,10-11,14,23H,5-9,12H2,1H3,(H,21,22)/t19-/m0/s1
InChIKeyVDWBWTKMDCDDPQ-IBGZPJMESA-N
XLogP2.65
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(6-methylquinoxalin-2-yl)spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-amine?
The IUPAC name of (2R)-N-(6-methylquinoxalin-2-yl)spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-amine (CID 141251242) is (2R)-N-(6-methylquinoxalin-2-yl)spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-amine.
What is the SMILES notation for (2R)-N-(6-methylquinoxalin-2-yl)spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-amine?
The canonical SMILES for (2R)-N-(6-methylquinoxalin-2-yl)spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-amine is Cc1ccc2nc(NC3=CC[C@@]4(CN5CCC4CC5)N3)cnc2c1.
What is the InChIKey of (2R)-N-(6-methylquinoxalin-2-yl)spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-amine?
The InChIKey is VDWBWTKMDCDDPQ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H23N5/c1-13-2-3-15-16(10-13)20-11-18(21-15)22-17-4-7-19(23-17)12-24-8-5-14(19)6-9-24/h2-4,10-11,14,23H,5-9,12H2,1H3,(H,21,22)/t19-/m0/s1.
What are the key properties of (2R)-N-(6-methylquinoxalin-2-yl)spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-amine?
(2R)-N-(6-methylquinoxalin-2-yl)spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-amine has a molecular weight of 321.43 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(6-methylquinoxalin-2-yl)spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-amine is sourced from PubChem (CID 141251242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).