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

C16H17N3O2 — CID 62927288

IUPAC1-cyclopropyl-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrazin-2-one
SMILESO=c1c(Oc2cccc3c2NCCC3)nccn1C1CC1
InChIInChI=1S/C16H17N3O2/c20-16-15(18-9-10-19(16)12-6-7-12)21-13-5-1-3-11-4-2-8-17-14(11)13/h1,3,5,9-10,12,17H,2,4,6-8H2
InChIKeyVGDUNGRQBSZNLI-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.73
Rot. Bonds3

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

1-cyclopropyl-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrazin-2-one (PubChem CID 62927288) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-cyclopropyl-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrazin-2-one
PubChem CID62927288
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name1-cyclopropyl-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrazin-2-one
SMILESO=c1c(Oc2cccc3c2NCCC3)nccn1C1CC1
InChIInChI=1S/C16H17N3O2/c20-16-15(18-9-10-19(16)12-6-7-12)21-13-5-1-3-11-4-2-8-17-14(11)13/h1,3,5,9-10,12,17H,2,4,6-8H2
InChIKeyVGDUNGRQBSZNLI-UHFFFAOYSA-N
XLogP2.73
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrazin-2-one?
The IUPAC name of 1-cyclopropyl-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrazin-2-one (CID 62927288) is 1-cyclopropyl-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrazin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrazin-2-one?
The canonical SMILES for 1-cyclopropyl-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrazin-2-one is O=c1c(Oc2cccc3c2NCCC3)nccn1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrazin-2-one?
The InChIKey is VGDUNGRQBSZNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c20-16-15(18-9-10-19(16)12-6-7-12)21-13-5-1-3-11-4-2-8-17-14(11)13/h1,3,5,9-10,12,17H,2,4,6-8H2.
What are the key properties of 1-cyclopropyl-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrazin-2-one?
1-cyclopropyl-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrazin-2-one has a molecular weight of 283.33 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrazin-2-one is sourced from PubChem (CID 62927288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).