1-propan-2-yl-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrazin-2-one

C16H19N3O2 — CID 62929902

IUPAC1-propan-2-yl-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrazin-2-one
SMILESCC(C)n1ccnc(Oc2cccc3c2NCCC3)c1=O
InChIInChI=1S/C16H19N3O2/c1-11(2)19-10-9-18-15(16(19)20)21-13-7-3-5-12-6-4-8-17-14(12)13/h3,5,7,9-11,17H,4,6,8H2,1-2H3
InChIKeyFAODBOCEUIFPAB-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.97
Rot. Bonds3

About 1-propan-2-yl-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrazin-2-one

1-propan-2-yl-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrazin-2-one (PubChem CID 62929902) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-propan-2-yl-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrazin-2-one.

Molecular Properties

Compound Name1-propan-2-yl-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrazin-2-one
PubChem CID62929902
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-propan-2-yl-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrazin-2-one
SMILESCC(C)n1ccnc(Oc2cccc3c2NCCC3)c1=O
InChIInChI=1S/C16H19N3O2/c1-11(2)19-10-9-18-15(16(19)20)21-13-7-3-5-12-6-4-8-17-14(12)13/h3,5,7,9-11,17H,4,6,8H2,1-2H3
InChIKeyFAODBOCEUIFPAB-UHFFFAOYSA-N
XLogP2.97
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrazin-2-one?
The IUPAC name of 1-propan-2-yl-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrazin-2-one (CID 62929902) is 1-propan-2-yl-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrazin-2-one.
What is the SMILES notation for 1-propan-2-yl-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrazin-2-one?
The canonical SMILES for 1-propan-2-yl-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrazin-2-one is CC(C)n1ccnc(Oc2cccc3c2NCCC3)c1=O.
What is the InChIKey of 1-propan-2-yl-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrazin-2-one?
The InChIKey is FAODBOCEUIFPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11(2)19-10-9-18-15(16(19)20)21-13-7-3-5-12-6-4-8-17-14(12)13/h3,5,7,9-11,17H,4,6,8H2,1-2H3.
What are the key properties of 1-propan-2-yl-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrazin-2-one?
1-propan-2-yl-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrazin-2-one has a molecular weight of 285.35 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrazin-2-one is sourced from PubChem (CID 62929902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).