2-(7-aminoquinolin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

C16H18N4O — CID 103001618

IUPAC2-(7-aminoquinolin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESNc1ccc2c(N3CCN4C(=O)CCC4C3)ccnc2c1
InChIInChI=1S/C16H18N4O/c17-11-1-3-13-14(9-11)18-6-5-15(13)19-7-8-20-12(10-19)2-4-16(20)21/h1,3,5-6,9,12H,2,4,7-8,10,17H2
InChIKeyBKLPOSFUOAMDCI-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.63
Rot. Bonds1

About 2-(7-aminoquinolin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

2-(7-aminoquinolin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 103001618) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-(7-aminoquinolin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-(7-aminoquinolin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID103001618
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-(7-aminoquinolin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESNc1ccc2c(N3CCN4C(=O)CCC4C3)ccnc2c1
InChIInChI=1S/C16H18N4O/c17-11-1-3-13-14(9-11)18-6-5-15(13)19-7-8-20-12(10-19)2-4-16(20)21/h1,3,5-6,9,12H,2,4,7-8,10,17H2
InChIKeyBKLPOSFUOAMDCI-UHFFFAOYSA-N
XLogP1.63
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(7-aminoquinolin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-(7-aminoquinolin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 103001618) is 2-(7-aminoquinolin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-(7-aminoquinolin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-(7-aminoquinolin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is Nc1ccc2c(N3CCN4C(=O)CCC4C3)ccnc2c1.
What is the InChIKey of 2-(7-aminoquinolin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is BKLPOSFUOAMDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c17-11-1-3-13-14(9-11)18-6-5-15(13)19-7-8-20-12(10-19)2-4-16(20)21/h1,3,5-6,9,12H,2,4,7-8,10,17H2.
What are the key properties of 2-(7-aminoquinolin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-(7-aminoquinolin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 282.35 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-aminoquinolin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 103001618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).