2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-6-fluoro-4-methoxyquinoline

C19H18FN5O — CID 71617228

IUPAC2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-6-fluoro-4-methoxyquinoline
SMILESCOc1cc(CCc2nc3c(C)ncc(C)n3n2)nc2ccc(F)cc12
InChIInChI=1S/C19H18FN5O/c1-11-10-21-12(2)19-23-18(24-25(11)19)7-5-14-9-17(26-3)15-8-13(20)4-6-16(15)22-14/h4,6,8-10H,5,7H2,1-3H3
InChIKeyRVNLAISERMFIRL-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.22
Rot. Bonds4

About 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-6-fluoro-4-methoxyquinoline

2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-6-fluoro-4-methoxyquinoline (PubChem CID 71617228) has the molecular formula C19H18FN5O and a molecular weight of 351.39 g/mol. Its IUPAC name is 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-6-fluoro-4-methoxyquinoline.

Molecular Properties

Compound Name2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-6-fluoro-4-methoxyquinoline
PubChem CID71617228
Molecular FormulaC19H18FN5O
Molecular Weight351.39 g/mol
Exact Mass351.15
IUPAC Name2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-6-fluoro-4-methoxyquinoline
SMILESCOc1cc(CCc2nc3c(C)ncc(C)n3n2)nc2ccc(F)cc12
InChIInChI=1S/C19H18FN5O/c1-11-10-21-12(2)19-23-18(24-25(11)19)7-5-14-9-17(26-3)15-8-13(20)4-6-16(15)22-14/h4,6,8-10H,5,7H2,1-3H3
InChIKeyRVNLAISERMFIRL-UHFFFAOYSA-N
XLogP3.22
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-6-fluoro-4-methoxyquinoline 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)ethyl]-6-fluoro-4-methoxyquinoline?
The IUPAC name of 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-6-fluoro-4-methoxyquinoline (CID 71617228) is 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-6-fluoro-4-methoxyquinoline.
What is the SMILES notation for 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-6-fluoro-4-methoxyquinoline?
The canonical SMILES for 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-6-fluoro-4-methoxyquinoline is COc1cc(CCc2nc3c(C)ncc(C)n3n2)nc2ccc(F)cc12.
What is the InChIKey of 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-6-fluoro-4-methoxyquinoline?
The InChIKey is RVNLAISERMFIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O/c1-11-10-21-12(2)19-23-18(24-25(11)19)7-5-14-9-17(26-3)15-8-13(20)4-6-16(15)22-14/h4,6,8-10H,5,7H2,1-3H3.
What are the key properties of 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-6-fluoro-4-methoxyquinoline?
2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-6-fluoro-4-methoxyquinoline has a molecular weight of 351.39 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 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)ethyl]-6-fluoro-4-methoxyquinoline is sourced from PubChem (CID 71617228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).