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

C18H17FN4O — CID 66576850

IUPAC8-fluoro-7-(4-methoxy-5-methyl-3-pyridinyl)-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
SMILESCOc1c(C)cncc1-c1cc2c(cc1F)-n1c(C)nnc1CC2
InChIInChI=1S/C18H17FN4O/c1-10-8-20-9-14(18(10)24-3)13-6-12-4-5-17-22-21-11(2)23(17)16(12)7-15(13)19/h6-9H,4-5H2,1-3H3
InChIKeyWCHMUBHFHAPDQQ-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.19
Rot. Bonds2

About 8-fluoro-7-(4-methoxy-5-methyl-3-pyridinyl)-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline

8-fluoro-7-(4-methoxy-5-methyl-3-pyridinyl)-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline (PubChem CID 66576850) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is 8-fluoro-7-(4-methoxy-5-methyl-3-pyridinyl)-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline.

Molecular Properties

Compound Name8-fluoro-7-(4-methoxy-5-methyl-3-pyridinyl)-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
PubChem CID66576850
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name8-fluoro-7-(4-methoxy-5-methyl-3-pyridinyl)-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
SMILESCOc1c(C)cncc1-c1cc2c(cc1F)-n1c(C)nnc1CC2
InChIInChI=1S/C18H17FN4O/c1-10-8-20-9-14(18(10)24-3)13-6-12-4-5-17-22-21-11(2)23(17)16(12)7-15(13)19/h6-9H,4-5H2,1-3H3
InChIKeyWCHMUBHFHAPDQQ-UHFFFAOYSA-N
XLogP3.19
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-7-(4-methoxy-5-methyl-3-pyridinyl)-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
The IUPAC name of 8-fluoro-7-(4-methoxy-5-methyl-3-pyridinyl)-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline (CID 66576850) is 8-fluoro-7-(4-methoxy-5-methyl-3-pyridinyl)-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline.
What is the SMILES notation for 8-fluoro-7-(4-methoxy-5-methyl-3-pyridinyl)-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
The canonical SMILES for 8-fluoro-7-(4-methoxy-5-methyl-3-pyridinyl)-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline is COc1c(C)cncc1-c1cc2c(cc1F)-n1c(C)nnc1CC2.
What is the InChIKey of 8-fluoro-7-(4-methoxy-5-methyl-3-pyridinyl)-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
The InChIKey is WCHMUBHFHAPDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c1-10-8-20-9-14(18(10)24-3)13-6-12-4-5-17-22-21-11(2)23(17)16(12)7-15(13)19/h6-9H,4-5H2,1-3H3.
What are the key properties of 8-fluoro-7-(4-methoxy-5-methyl-3-pyridinyl)-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
8-fluoro-7-(4-methoxy-5-methyl-3-pyridinyl)-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline has a molecular weight of 324.36 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-7-(4-methoxy-5-methyl-3-pyridinyl)-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline is sourced from PubChem (CID 66576850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).