8-[(1-fluorocyclohexyl)methoxy]-2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline

C28H25FN4O — CID 58303649

IUPAC8-[(1-fluorocyclohexyl)methoxy]-2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline
SMILESFC1(COc2cccc3ccc(-c4nnc5ccc(-c6ccccc6)cn45)nc23)CCCCC1
InChIInChI=1S/C28H25FN4O/c29-28(16-5-2-6-17-28)19-34-24-11-7-10-21-12-14-23(30-26(21)24)27-32-31-25-15-13-22(18-33(25)27)20-8-3-1-4-9-20/h1,3-4,7-15,18H,2,5-6,16-17,19H2
InChIKeySUBKGKSFEOQPKL-UHFFFAOYSA-N
MW452.53 g/mol
LogP6.66
Rot. Bonds5

About 8-[(1-fluorocyclohexyl)methoxy]-2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline

8-[(1-fluorocyclohexyl)methoxy]-2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline (PubChem CID 58303649) has the molecular formula C28H25FN4O and a molecular weight of 452.53 g/mol. Its IUPAC name is 8-[(1-fluorocyclohexyl)methoxy]-2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline.

Molecular Properties

Compound Name8-[(1-fluorocyclohexyl)methoxy]-2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline
PubChem CID58303649
Molecular FormulaC28H25FN4O
Molecular Weight452.53 g/mol
Exact Mass452.20
IUPAC Name8-[(1-fluorocyclohexyl)methoxy]-2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline
SMILESFC1(COc2cccc3ccc(-c4nnc5ccc(-c6ccccc6)cn45)nc23)CCCCC1
InChIInChI=1S/C28H25FN4O/c29-28(16-5-2-6-17-28)19-34-24-11-7-10-21-12-14-23(30-26(21)24)27-32-31-25-15-13-22(18-33(25)27)20-8-3-1-4-9-20/h1,3-4,7-15,18H,2,5-6,16-17,19H2
InChIKeySUBKGKSFEOQPKL-UHFFFAOYSA-N
XLogP6.66
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.53
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(1-fluorocyclohexyl)methoxy]-2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline?
The IUPAC name of 8-[(1-fluorocyclohexyl)methoxy]-2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline (CID 58303649) is 8-[(1-fluorocyclohexyl)methoxy]-2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline.
What is the SMILES notation for 8-[(1-fluorocyclohexyl)methoxy]-2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline?
The canonical SMILES for 8-[(1-fluorocyclohexyl)methoxy]-2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline is FC1(COc2cccc3ccc(-c4nnc5ccc(-c6ccccc6)cn45)nc23)CCCCC1.
What is the InChIKey of 8-[(1-fluorocyclohexyl)methoxy]-2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline?
The InChIKey is SUBKGKSFEOQPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN4O/c29-28(16-5-2-6-17-28)19-34-24-11-7-10-21-12-14-23(30-26(21)24)27-32-31-25-15-13-22(18-33(25)27)20-8-3-1-4-9-20/h1,3-4,7-15,18H,2,5-6,16-17,19H2.
What are the key properties of 8-[(1-fluorocyclohexyl)methoxy]-2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline?
8-[(1-fluorocyclohexyl)methoxy]-2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline has a molecular weight of 452.53 g/mol, XLogP of 6.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1-fluorocyclohexyl)methoxy]-2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline is sourced from PubChem (CID 58303649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).