2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-7-fluoro-4-methoxyquinoline;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-7-fluoro-1H-quinolin-4-one

C37H30F2N10O2 — CID 159533186

IUPAC2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-7-fluoro-4-methoxyquinoline;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-7-fluoro-1H-quinolin-4-one
SMILESCOc1cc(C=Cc2nc3c(C)ncc(C)n3n2)nc2cc(F)ccc12.Cc1ncc(C)n2nc(C=Cc3cc(=O)c4ccc(F)cc4[nH]3)nc12
InChIInChI=1S/C19H16FN5O.C18H14FN5O/c1-11-10-21-12(2)19-23-18(24-25(11)19)7-5-14-9-17(26-3)15-6-4-13(20)8-16(15)22-14;1-10-9-20-11(2)18-22-17(23-24(10)18)6-4-13-8-16(25)14-5-3-12(19)7-15(14)21-13/h4-10H,1-3H3;3-9H,1-2H3,(H,21,25)
InChIKeyMDGIOEJCIROQCG-UHFFFAOYSA-N
MW684.71 g/mol
LogP6.50
Rot. Bonds5

About 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-7-fluoro-4-methoxyquinoline;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-7-fluoro-1H-quinolin-4-one

2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-7-fluoro-4-methoxyquinoline;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-7-fluoro-1H-quinolin-4-one (PubChem CID 159533186) has the molecular formula C37H30F2N10O2 and a molecular weight of 684.71 g/mol. Its IUPAC name is 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-7-fluoro-4-methoxyquinoline;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-7-fluoro-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-7-fluoro-4-methoxyquinoline;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-7-fluoro-1H-quinolin-4-one
PubChem CID159533186
Molecular FormulaC37H30F2N10O2
Molecular Weight684.71 g/mol
Exact Mass684.25
IUPAC Name2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-7-fluoro-4-methoxyquinoline;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-7-fluoro-1H-quinolin-4-one
SMILESCOc1cc(C=Cc2nc3c(C)ncc(C)n3n2)nc2cc(F)ccc12.Cc1ncc(C)n2nc(C=Cc3cc(=O)c4ccc(F)cc4[nH]3)nc12
InChIInChI=1S/C19H16FN5O.C18H14FN5O/c1-11-10-21-12(2)19-23-18(24-25(11)19)7-5-14-9-17(26-3)15-6-4-13(20)8-16(15)22-14;1-10-9-20-11(2)18-22-17(23-24(10)18)6-4-13-8-16(25)14-5-3-12(19)7-15(14)21-13/h4-10H,1-3H3;3-9H,1-2H3,(H,21,25)
InChIKeyMDGIOEJCIROQCG-UHFFFAOYSA-N
XLogP6.50
TPSA141.14 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500684.71
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-7-fluoro-4-methoxyquinoline;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-7-fluoro-1H-quinolin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-7-fluoro-4-methoxyquinoline;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-7-fluoro-1H-quinolin-4-one?
The IUPAC name of 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-7-fluoro-4-methoxyquinoline;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-7-fluoro-1H-quinolin-4-one (CID 159533186) is 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-7-fluoro-4-methoxyquinoline;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-7-fluoro-1H-quinolin-4-one.
What is the SMILES notation for 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-7-fluoro-4-methoxyquinoline;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-7-fluoro-1H-quinolin-4-one?
The canonical SMILES for 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-7-fluoro-4-methoxyquinoline;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-7-fluoro-1H-quinolin-4-one is COc1cc(C=Cc2nc3c(C)ncc(C)n3n2)nc2cc(F)ccc12.Cc1ncc(C)n2nc(C=Cc3cc(=O)c4ccc(F)cc4[nH]3)nc12.
What is the InChIKey of 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-7-fluoro-4-methoxyquinoline;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-7-fluoro-1H-quinolin-4-one?
The InChIKey is MDGIOEJCIROQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O.C18H14FN5O/c1-11-10-21-12(2)19-23-18(24-25(11)19)7-5-14-9-17(26-3)15-6-4-13(20)8-16(15)22-14;1-10-9-20-11(2)18-22-17(23-24(10)18)6-4-13-8-16(25)14-5-3-12(19)7-15(14)21-13/h4-10H,1-3H3;3-9H,1-2H3,(H,21,25).
What are the key properties of 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-7-fluoro-4-methoxyquinoline;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-7-fluoro-1H-quinolin-4-one?
2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-7-fluoro-4-methoxyquinoline;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-7-fluoro-1H-quinolin-4-one has a molecular weight of 684.71 g/mol, XLogP of 6.50, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-7-fluoro-4-methoxyquinoline;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-7-fluoro-1H-quinolin-4-one is sourced from PubChem (CID 159533186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).