3-(2,6-difluorophenyl)-8-pyrazin-2-yloxy-5,6,7,8-tetrahydrocinnoline

C18H14F2N4O — CID 155049191

IUPAC3-(2,6-difluorophenyl)-8-pyrazin-2-yloxy-5,6,7,8-tetrahydrocinnoline
SMILESFc1cccc(F)c1-c1cc2c(nn1)C(Oc1cnccn1)CCC2
InChIInChI=1S/C18H14F2N4O/c19-12-4-2-5-13(20)17(12)14-9-11-3-1-6-15(18(11)24-23-14)25-16-10-21-7-8-22-16/h2,4-5,7-10,15H,1,3,6H2
InChIKeySWGPSXKUWGGUBN-UHFFFAOYSA-N
MW340.33 g/mol
LogP3.67
Rot. Bonds3

About 3-(2,6-difluorophenyl)-8-pyrazin-2-yloxy-5,6,7,8-tetrahydrocinnoline

3-(2,6-difluorophenyl)-8-pyrazin-2-yloxy-5,6,7,8-tetrahydrocinnoline (PubChem CID 155049191) has the molecular formula C18H14F2N4O and a molecular weight of 340.33 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-8-pyrazin-2-yloxy-5,6,7,8-tetrahydrocinnoline.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-8-pyrazin-2-yloxy-5,6,7,8-tetrahydrocinnoline
PubChem CID155049191
Molecular FormulaC18H14F2N4O
Molecular Weight340.33 g/mol
Exact Mass340.11
IUPAC Name3-(2,6-difluorophenyl)-8-pyrazin-2-yloxy-5,6,7,8-tetrahydrocinnoline
SMILESFc1cccc(F)c1-c1cc2c(nn1)C(Oc1cnccn1)CCC2
InChIInChI=1S/C18H14F2N4O/c19-12-4-2-5-13(20)17(12)14-9-11-3-1-6-15(18(11)24-23-14)25-16-10-21-7-8-22-16/h2,4-5,7-10,15H,1,3,6H2
InChIKeySWGPSXKUWGGUBN-UHFFFAOYSA-N
XLogP3.67
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-8-pyrazin-2-yloxy-5,6,7,8-tetrahydrocinnoline?
The IUPAC name of 3-(2,6-difluorophenyl)-8-pyrazin-2-yloxy-5,6,7,8-tetrahydrocinnoline (CID 155049191) is 3-(2,6-difluorophenyl)-8-pyrazin-2-yloxy-5,6,7,8-tetrahydrocinnoline.
What is the SMILES notation for 3-(2,6-difluorophenyl)-8-pyrazin-2-yloxy-5,6,7,8-tetrahydrocinnoline?
The canonical SMILES for 3-(2,6-difluorophenyl)-8-pyrazin-2-yloxy-5,6,7,8-tetrahydrocinnoline is Fc1cccc(F)c1-c1cc2c(nn1)C(Oc1cnccn1)CCC2.
What is the InChIKey of 3-(2,6-difluorophenyl)-8-pyrazin-2-yloxy-5,6,7,8-tetrahydrocinnoline?
The InChIKey is SWGPSXKUWGGUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O/c19-12-4-2-5-13(20)17(12)14-9-11-3-1-6-15(18(11)24-23-14)25-16-10-21-7-8-22-16/h2,4-5,7-10,15H,1,3,6H2.
What are the key properties of 3-(2,6-difluorophenyl)-8-pyrazin-2-yloxy-5,6,7,8-tetrahydrocinnoline?
3-(2,6-difluorophenyl)-8-pyrazin-2-yloxy-5,6,7,8-tetrahydrocinnoline has a molecular weight of 340.33 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-8-pyrazin-2-yloxy-5,6,7,8-tetrahydrocinnoline is sourced from PubChem (CID 155049191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).