9-fluoro-7-(5-methoxy-3-pyridinyl)-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline

C17H15FN4O — CID 66576930

IUPAC9-fluoro-7-(5-methoxy-3-pyridinyl)-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
SMILESCOc1cncc(-c2cc(F)c3c(c2)CCc2nnc(C)n2-3)c1
InChIInChI=1S/C17H15FN4O/c1-10-20-21-16-4-3-11-5-12(7-15(18)17(11)22(10)16)13-6-14(23-2)9-19-8-13/h5-9H,3-4H2,1-2H3
InChIKeyJRPYWHICFPEOQX-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.88
Rot. Bonds2

About 9-fluoro-7-(5-methoxy-3-pyridinyl)-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline

9-fluoro-7-(5-methoxy-3-pyridinyl)-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline (PubChem CID 66576930) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is 9-fluoro-7-(5-methoxy-3-pyridinyl)-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline.

Molecular Properties

Compound Name9-fluoro-7-(5-methoxy-3-pyridinyl)-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
PubChem CID66576930
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name9-fluoro-7-(5-methoxy-3-pyridinyl)-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
SMILESCOc1cncc(-c2cc(F)c3c(c2)CCc2nnc(C)n2-3)c1
InChIInChI=1S/C17H15FN4O/c1-10-20-21-16-4-3-11-5-12(7-15(18)17(11)22(10)16)13-6-14(23-2)9-19-8-13/h5-9H,3-4H2,1-2H3
InChIKeyJRPYWHICFPEOQX-UHFFFAOYSA-N
XLogP2.88
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-7-(5-methoxy-3-pyridinyl)-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
The IUPAC name of 9-fluoro-7-(5-methoxy-3-pyridinyl)-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline (CID 66576930) is 9-fluoro-7-(5-methoxy-3-pyridinyl)-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline.
What is the SMILES notation for 9-fluoro-7-(5-methoxy-3-pyridinyl)-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
The canonical SMILES for 9-fluoro-7-(5-methoxy-3-pyridinyl)-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline is COc1cncc(-c2cc(F)c3c(c2)CCc2nnc(C)n2-3)c1.
What is the InChIKey of 9-fluoro-7-(5-methoxy-3-pyridinyl)-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
The InChIKey is JRPYWHICFPEOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c1-10-20-21-16-4-3-11-5-12(7-15(18)17(11)22(10)16)13-6-14(23-2)9-19-8-13/h5-9H,3-4H2,1-2H3.
What are the key properties of 9-fluoro-7-(5-methoxy-3-pyridinyl)-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
9-fluoro-7-(5-methoxy-3-pyridinyl)-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline has a molecular weight of 310.33 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-7-(5-methoxy-3-pyridinyl)-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline is sourced from PubChem (CID 66576930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).