1-[5-(9-fluoro-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)-3-pyridinyl]ethanol

C18H17FN4O — CID 66576931

IUPAC1-[5-(9-fluoro-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)-3-pyridinyl]ethanol
SMILESCc1nnc2n1-c1c(F)cc(-c3cncc(C(C)O)c3)cc1CC2
InChIInChI=1S/C18H17FN4O/c1-10(24)14-6-15(9-20-8-14)13-5-12-3-4-17-22-21-11(2)23(17)18(12)16(19)7-13/h5-10,24H,3-4H2,1-2H3
InChIKeyMLLPBNCNYCSIMJ-UHFFFAOYSA-N
MW324.36 g/mol
LogP2.93
Rot. Bonds2

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

1-[5-(9-fluoro-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)-3-pyridinyl]ethanol (PubChem CID 66576931) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is 1-[5-(9-fluoro-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)-3-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[5-(9-fluoro-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)-3-pyridinyl]ethanol
PubChem CID66576931
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name1-[5-(9-fluoro-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)-3-pyridinyl]ethanol
SMILESCc1nnc2n1-c1c(F)cc(-c3cncc(C(C)O)c3)cc1CC2
InChIInChI=1S/C18H17FN4O/c1-10(24)14-6-15(9-20-8-14)13-5-12-3-4-17-22-21-11(2)23(17)18(12)16(19)7-13/h5-10,24H,3-4H2,1-2H3
InChIKeyMLLPBNCNYCSIMJ-UHFFFAOYSA-N
XLogP2.93
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-(9-fluoro-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)-3-pyridinyl]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(9-fluoro-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)-3-pyridinyl]ethanol?
The IUPAC name of 1-[5-(9-fluoro-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)-3-pyridinyl]ethanol (CID 66576931) is 1-[5-(9-fluoro-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)-3-pyridinyl]ethanol.
What is the SMILES notation for 1-[5-(9-fluoro-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)-3-pyridinyl]ethanol?
The canonical SMILES for 1-[5-(9-fluoro-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)-3-pyridinyl]ethanol is Cc1nnc2n1-c1c(F)cc(-c3cncc(C(C)O)c3)cc1CC2.
What is the InChIKey of 1-[5-(9-fluoro-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)-3-pyridinyl]ethanol?
The InChIKey is MLLPBNCNYCSIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c1-10(24)14-6-15(9-20-8-14)13-5-12-3-4-17-22-21-11(2)23(17)18(12)16(19)7-13/h5-10,24H,3-4H2,1-2H3.
What are the key properties of 1-[5-(9-fluoro-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)-3-pyridinyl]ethanol?
1-[5-(9-fluoro-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)-3-pyridinyl]ethanol has a molecular weight of 324.36 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(9-fluoro-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)-3-pyridinyl]ethanol is sourced from PubChem (CID 66576931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).