5-fluoro-8-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]quinoline

C18H20FN5 — CID 95309916

IUPAC5-fluoro-8-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]quinoline
SMILESFc1ccc(CN2CCC[C@@H](Cn3cncn3)C2)c2ncccc12
InChIInChI=1S/C18H20FN5/c19-17-6-5-15(18-16(17)4-1-7-21-18)11-23-8-2-3-14(9-23)10-24-13-20-12-22-24/h1,4-7,12-14H,2-3,8-11H2/t14-/m1/s1
InChIKeyQYOVLPOYVXUWOY-CQSZACIVSA-N
MW325.39 g/mol
LogP2.88
Rot. Bonds4

About 5-fluoro-8-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]quinoline

5-fluoro-8-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]quinoline (PubChem CID 95309916) has the molecular formula C18H20FN5 and a molecular weight of 325.39 g/mol. Its IUPAC name is 5-fluoro-8-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]quinoline.

Molecular Properties

Compound Name5-fluoro-8-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]quinoline
PubChem CID95309916
Molecular FormulaC18H20FN5
Molecular Weight325.39 g/mol
Exact Mass325.17
IUPAC Name5-fluoro-8-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]quinoline
SMILESFc1ccc(CN2CCC[C@@H](Cn3cncn3)C2)c2ncccc12
InChIInChI=1S/C18H20FN5/c19-17-6-5-15(18-16(17)4-1-7-21-18)11-23-8-2-3-14(9-23)10-24-13-20-12-22-24/h1,4-7,12-14H,2-3,8-11H2/t14-/m1/s1
InChIKeyQYOVLPOYVXUWOY-CQSZACIVSA-N
XLogP2.88
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-8-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]quinoline with MolForge

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Related Compounds

2-[(5-fluoroquinolin-8-yl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 49234559
3-fluoro-2-methoxy-4-[[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]pyridine
CID 167940513
1-[(5-fluoroquinolin-8-yl)methyl]-N-methylpyrrolidin-3-amine
CID 81493159
4-[(5-fluoroquinolin-8-yl)methyl]-2-methylmorpholine
CID 42957454
1-[1-[(5-fluoroquinolin-8-yl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 63249000
2-methyl-3-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]quinoxaline
CID 95312010
2-methyl-5-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 95325530
5-fluoro-8-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]methyl]quinoline
CID 37385220
5-methyl-3-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95313243
N-(5-chloro-2-pyridinyl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 95316363
(3S)-1-[(1-phenyltetrazol-5-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)piperidine
CID 95309762
4-chloro-8-fluoro-7-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]quinoline
CID 86969359

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-8-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]quinoline?
The IUPAC name of 5-fluoro-8-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]quinoline (CID 95309916) is 5-fluoro-8-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]quinoline.
What is the SMILES notation for 5-fluoro-8-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]quinoline?
The canonical SMILES for 5-fluoro-8-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]quinoline is Fc1ccc(CN2CCC[C@@H](Cn3cncn3)C2)c2ncccc12.
What is the InChIKey of 5-fluoro-8-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]quinoline?
The InChIKey is QYOVLPOYVXUWOY-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20FN5/c19-17-6-5-15(18-16(17)4-1-7-21-18)11-23-8-2-3-14(9-23)10-24-13-20-12-22-24/h1,4-7,12-14H,2-3,8-11H2/t14-/m1/s1.
What are the key properties of 5-fluoro-8-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]quinoline?
5-fluoro-8-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]quinoline has a molecular weight of 325.39 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-8-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]quinoline is sourced from PubChem (CID 95309916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).