8-fluoro-2-methyl-4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinoline

C21H18FN5 — CID 133368435

IUPAC8-fluoro-2-methyl-4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinoline
SMILESCc1cc(N2CCn3c(nnc3-c3ccccc3)C2)c2cccc(F)c2n1
InChIInChI=1S/C21H18FN5/c1-14-12-18(16-8-5-9-17(22)20(16)23-14)26-10-11-27-19(13-26)24-25-21(27)15-6-3-2-4-7-15/h2-9,12H,10-11,13H2,1H3
InChIKeyHBLCNLJILIAYFT-UHFFFAOYSA-N
MW359.41 g/mol
LogP3.96
Rot. Bonds2

About 8-fluoro-2-methyl-4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinoline

8-fluoro-2-methyl-4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinoline (PubChem CID 133368435) has the molecular formula C21H18FN5 and a molecular weight of 359.41 g/mol. Its IUPAC name is 8-fluoro-2-methyl-4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinoline.

Molecular Properties

Compound Name8-fluoro-2-methyl-4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinoline
PubChem CID133368435
Molecular FormulaC21H18FN5
Molecular Weight359.41 g/mol
Exact Mass359.15
IUPAC Name8-fluoro-2-methyl-4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinoline
SMILESCc1cc(N2CCn3c(nnc3-c3ccccc3)C2)c2cccc(F)c2n1
InChIInChI=1S/C21H18FN5/c1-14-12-18(16-8-5-9-17(22)20(16)23-14)26-10-11-27-19(13-26)24-25-21(27)15-6-3-2-4-7-15/h2-9,12H,10-11,13H2,1H3
InChIKeyHBLCNLJILIAYFT-UHFFFAOYSA-N
XLogP3.96
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-fluoro-2-methyl-4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinoline with MolForge

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Related Compounds

8-fluoro-2-methyl-4-piperazin-1-ylquinoline
CID 39732499
4-(6-azaspiro[3.4]octan-6-yl)-8-fluoro-2-methylquinoline
CID 133369048
[1-(8-fluoro-2-methylquinolin-4-yl)-4-phenylpiperidin-4-yl]methanol
CID 167867904
1-(8-fluoro-2-methylquinolin-4-yl)-3-methylazetidine-3-carboxamide
CID 138001197
8-fluoro-2-methyl-4-(4-propyl-1,4-diazepan-1-yl)quinoline
CID 133388826
1-(8-fluoro-2-methylquinolin-4-yl)-3-methylpyrrolidine-3-carboxylic acid
CID 122052496
1-(8-fluoro-2-methylquinolin-4-yl)-N-(2-phenoxyethyl)piperidin-4-amine
CID 133394145
4-(aminomethyl)-1-(8-fluoro-2-methylquinolin-4-yl)piperidin-4-ol
CID 136548281
2-ethyl-7-(8-fluoro-2-methylquinolin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 133388576
9-(8-fluoro-2-methylquinolin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane
CID 133479209
8-fluoro-4-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]-2-methylquinoline
CID 133387080
7,8-difluoro-2-methyl-4-pyrrolidin-1-ylquinoline
CID 133499902

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-methyl-4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinoline?
The IUPAC name of 8-fluoro-2-methyl-4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinoline (CID 133368435) is 8-fluoro-2-methyl-4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinoline.
What is the SMILES notation for 8-fluoro-2-methyl-4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinoline?
The canonical SMILES for 8-fluoro-2-methyl-4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinoline is Cc1cc(N2CCn3c(nnc3-c3ccccc3)C2)c2cccc(F)c2n1.
What is the InChIKey of 8-fluoro-2-methyl-4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinoline?
The InChIKey is HBLCNLJILIAYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5/c1-14-12-18(16-8-5-9-17(22)20(16)23-14)26-10-11-27-19(13-26)24-25-21(27)15-6-3-2-4-7-15/h2-9,12H,10-11,13H2,1H3.
What are the key properties of 8-fluoro-2-methyl-4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinoline?
8-fluoro-2-methyl-4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinoline has a molecular weight of 359.41 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-methyl-4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinoline is sourced from PubChem (CID 133368435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).