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

C18H20FN5 — CID 133388694

IUPAC6-fluoro-2-methyl-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]quinoline
SMILESCc1cc(N2CCCC(Cn3cncn3)C2)c2cc(F)ccc2n1
InChIInChI=1S/C18H20FN5/c1-13-7-18(16-8-15(19)4-5-17(16)22-13)23-6-2-3-14(9-23)10-24-12-20-11-21-24/h4-5,7-8,11-12,14H,2-3,6,9-10H2,1H3
InChIKeyDBKRDEFZMDOUOF-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.19
Rot. Bonds3

About 6-fluoro-2-methyl-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]quinoline

6-fluoro-2-methyl-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]quinoline (PubChem CID 133388694) has the molecular formula C18H20FN5 and a molecular weight of 325.39 g/mol. Its IUPAC name is 6-fluoro-2-methyl-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]quinoline.

Molecular Properties

Compound Name6-fluoro-2-methyl-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]quinoline
PubChem CID133388694
Molecular FormulaC18H20FN5
Molecular Weight325.39 g/mol
Exact Mass325.17
IUPAC Name6-fluoro-2-methyl-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]quinoline
SMILESCc1cc(N2CCCC(Cn3cncn3)C2)c2cc(F)ccc2n1
InChIInChI=1S/C18H20FN5/c1-13-7-18(16-8-15(19)4-5-17(16)22-13)23-6-2-3-14(9-23)10-24-12-20-11-21-24/h4-5,7-8,11-12,14H,2-3,6,9-10H2,1H3
InChIKeyDBKRDEFZMDOUOF-UHFFFAOYSA-N
XLogP3.19
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]benzonitrile
CID 133321116
5-methyl-7-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 95323188
4-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-6-fluoro-2-methylquinoline
CID 133368181
6-fluoro-2-methyl-4-[3-(2-methylpropoxy)pyrrolidin-1-yl]quinoline
CID 133369112
4-chloro-8-fluoro-7-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]quinoline
CID 86969359
3-ethyl-5-[4-(6-fluoro-2-methylquinolin-4-yl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole
CID 133368413
6-fluoro-2-methyl-4-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]quinoline
CID 133368472
4-(6-fluoro-2-methylquinolin-4-yl)-2-(furan-2-yl)morpholine
CID 133368875
6-fluoro-2-methyl-4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinoline
CID 133458892
2-[(1R)-1-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethyl]-3H-quinazolin-4-one
CID 136727623
2-pyridin-4-yl-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine
CID 133321105
2-methyl-3-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]quinoxaline
CID 95312010

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]quinoline?
The IUPAC name of 6-fluoro-2-methyl-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]quinoline (CID 133388694) is 6-fluoro-2-methyl-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]quinoline.
What is the SMILES notation for 6-fluoro-2-methyl-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]quinoline?
The canonical SMILES for 6-fluoro-2-methyl-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]quinoline is Cc1cc(N2CCCC(Cn3cncn3)C2)c2cc(F)ccc2n1.
What is the InChIKey of 6-fluoro-2-methyl-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]quinoline?
The InChIKey is DBKRDEFZMDOUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5/c1-13-7-18(16-8-15(19)4-5-17(16)22-13)23-6-2-3-14(9-23)10-24-12-20-11-21-24/h4-5,7-8,11-12,14H,2-3,6,9-10H2,1H3.
What are the key properties of 6-fluoro-2-methyl-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]quinoline?
6-fluoro-2-methyl-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]quinoline has a molecular weight of 325.39 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]quinoline is sourced from PubChem (CID 133388694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).