2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one

C22H24N4O — CID 154657239

IUPAC2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
SMILESO=c1cc[nH]c2nc(-c3ccccc3)c(C3CCC4NCCCC4C3)nc12
InChIInChI=1S/C22H24N4O/c27-18-10-12-24-22-21(18)25-20(19(26-22)14-5-2-1-3-6-14)16-8-9-17-15(13-16)7-4-11-23-17/h1-3,5-6,10,12,15-17,23H,4,7-9,11,13H2,(H,24,26,27)
InChIKeyKQSZVGZRVGQIKH-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.62
Rot. Bonds2

About 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one

2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one (PubChem CID 154657239) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one.

Molecular Properties

Compound Name2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
PubChem CID154657239
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
SMILESO=c1cc[nH]c2nc(-c3ccccc3)c(C3CCC4NCCCC4C3)nc12
InChIInChI=1S/C22H24N4O/c27-18-10-12-24-22-21(18)25-20(19(26-22)14-5-2-1-3-6-14)16-8-9-17-15(13-16)7-4-11-23-17/h1-3,5-6,10,12,15-17,23H,4,7-9,11,13H2,(H,24,26,27)
InChIKeyKQSZVGZRVGQIKH-UHFFFAOYSA-N
XLogP3.62
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one?
The IUPAC name of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one (CID 154657239) is 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one.
What is the SMILES notation for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one?
The canonical SMILES for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one is O=c1cc[nH]c2nc(-c3ccccc3)c(C3CCC4NCCCC4C3)nc12.
What is the InChIKey of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one?
The InChIKey is KQSZVGZRVGQIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c27-18-10-12-24-22-21(18)25-20(19(26-22)14-5-2-1-3-6-14)16-8-9-17-15(13-16)7-4-11-23-17/h1-3,5-6,10,12,15-17,23H,4,7-9,11,13H2,(H,24,26,27).
What are the key properties of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one?
2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one has a molecular weight of 360.46 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one is sourced from PubChem (CID 154657239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).