6-chloro-2-[4-(triazol-1-yl)piperidin-1-yl]quinoline-4-carbonitrile

C17H15ClN6 — CID 133455579

IUPAC6-chloro-2-[4-(triazol-1-yl)piperidin-1-yl]quinoline-4-carbonitrile
SMILESN#Cc1cc(N2CCC(n3ccnn3)CC2)nc2ccc(Cl)cc12
InChIInChI=1S/C17H15ClN6/c18-13-1-2-16-15(10-13)12(11-19)9-17(21-16)23-6-3-14(4-7-23)24-8-5-20-22-24/h1-2,5,8-10,14H,3-4,6-7H2
InChIKeyYUSSSLDMBIWWAP-UHFFFAOYSA-N
MW338.80 g/mol
LogP3.19
Rot. Bonds2

About 6-chloro-2-[4-(triazol-1-yl)piperidin-1-yl]quinoline-4-carbonitrile

6-chloro-2-[4-(triazol-1-yl)piperidin-1-yl]quinoline-4-carbonitrile (PubChem CID 133455579) has the molecular formula C17H15ClN6 and a molecular weight of 338.80 g/mol. Its IUPAC name is 6-chloro-2-[4-(triazol-1-yl)piperidin-1-yl]quinoline-4-carbonitrile.

Molecular Properties

Compound Name6-chloro-2-[4-(triazol-1-yl)piperidin-1-yl]quinoline-4-carbonitrile
PubChem CID133455579
Molecular FormulaC17H15ClN6
Molecular Weight338.80 g/mol
Exact Mass338.10
IUPAC Name6-chloro-2-[4-(triazol-1-yl)piperidin-1-yl]quinoline-4-carbonitrile
SMILESN#Cc1cc(N2CCC(n3ccnn3)CC2)nc2ccc(Cl)cc12
InChIInChI=1S/C17H15ClN6/c18-13-1-2-16-15(10-13)12(11-19)9-17(21-16)23-6-3-14(4-7-23)24-8-5-20-22-24/h1-2,5,8-10,14H,3-4,6-7H2
InChIKeyYUSSSLDMBIWWAP-UHFFFAOYSA-N
XLogP3.19
TPSA70.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-2-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]quinoline-4-carbonitrile
CID 133304507
6-chloro-2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinoline-4-carbonitrile
CID 133453291
6-chloro-2-(3-hydroxy-3-methylpyrrolidin-1-yl)quinoline-4-carbonitrile
CID 133410643
6-chloro-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline-4-carbonitrile
CID 133341908
6-chloro-2-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]quinoline-4-carbonitrile
CID 133304447
6-chloro-2-(1,2-oxazolidin-2-yl)quinoline-4-carbonitrile
CID 75455040
2-tert-butyl-4-[4-(triazol-1-yl)piperidin-1-yl]pyrimidine
CID 133455634
6-chloro-2-[2-(2-hydroxyethyl)piperidin-1-yl]quinoline-4-carbonitrile
CID 133426490
6-chloro-2-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinoline-4-carbonitrile
CID 133327781
2-(4-aminopiperidin-1-yl)quinoline-4-carbonitrile
CID 63884859
ethyl 1-(6-chloro-4-cyanoquinolin-2-yl)-3-methylpyrrolidine-3-carboxylate
CID 133387122
2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]quinoline-4-carbonitrile
CID 127485716

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[4-(triazol-1-yl)piperidin-1-yl]quinoline-4-carbonitrile?
The IUPAC name of 6-chloro-2-[4-(triazol-1-yl)piperidin-1-yl]quinoline-4-carbonitrile (CID 133455579) is 6-chloro-2-[4-(triazol-1-yl)piperidin-1-yl]quinoline-4-carbonitrile.
What is the SMILES notation for 6-chloro-2-[4-(triazol-1-yl)piperidin-1-yl]quinoline-4-carbonitrile?
The canonical SMILES for 6-chloro-2-[4-(triazol-1-yl)piperidin-1-yl]quinoline-4-carbonitrile is N#Cc1cc(N2CCC(n3ccnn3)CC2)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-[4-(triazol-1-yl)piperidin-1-yl]quinoline-4-carbonitrile?
The InChIKey is YUSSSLDMBIWWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN6/c18-13-1-2-16-15(10-13)12(11-19)9-17(21-16)23-6-3-14(4-7-23)24-8-5-20-22-24/h1-2,5,8-10,14H,3-4,6-7H2.
What are the key properties of 6-chloro-2-[4-(triazol-1-yl)piperidin-1-yl]quinoline-4-carbonitrile?
6-chloro-2-[4-(triazol-1-yl)piperidin-1-yl]quinoline-4-carbonitrile has a molecular weight of 338.80 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[4-(triazol-1-yl)piperidin-1-yl]quinoline-4-carbonitrile is sourced from PubChem (CID 133455579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).