6-chloro-4-phenyl-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)quinoline

C21H19ClN6 — CID 71556425

IUPAC6-chloro-4-phenyl-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)quinoline
SMILESClc1ccc2nc(N3CCCCC3)c(-c3nn[nH]n3)c(-c3ccccc3)c2c1
InChIInChI=1S/C21H19ClN6/c22-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(20-24-26-27-25-20)21(23-17)28-11-5-2-6-12-28/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,24,25,26,27)
InChIKeyFXEKONNOBJEKPB-UHFFFAOYSA-N
MW390.88 g/mol
LogP4.73
Rot. Bonds3

About 6-chloro-4-phenyl-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)quinoline

6-chloro-4-phenyl-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)quinoline (PubChem CID 71556425) has the molecular formula C21H19ClN6 and a molecular weight of 390.88 g/mol. Its IUPAC name is 6-chloro-4-phenyl-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)quinoline.

Molecular Properties

Compound Name6-chloro-4-phenyl-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)quinoline
PubChem CID71556425
Molecular FormulaC21H19ClN6
Molecular Weight390.88 g/mol
Exact Mass390.14
IUPAC Name6-chloro-4-phenyl-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)quinoline
SMILESClc1ccc2nc(N3CCCCC3)c(-c3nn[nH]n3)c(-c3ccccc3)c2c1
InChIInChI=1S/C21H19ClN6/c22-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(20-24-26-27-25-20)21(23-17)28-11-5-2-6-12-28/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,24,25,26,27)
InChIKeyFXEKONNOBJEKPB-UHFFFAOYSA-N
XLogP4.73
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.88
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-phenyl-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)quinoline?
The IUPAC name of 6-chloro-4-phenyl-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)quinoline (CID 71556425) is 6-chloro-4-phenyl-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)quinoline.
What is the SMILES notation for 6-chloro-4-phenyl-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)quinoline?
The canonical SMILES for 6-chloro-4-phenyl-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)quinoline is Clc1ccc2nc(N3CCCCC3)c(-c3nn[nH]n3)c(-c3ccccc3)c2c1.
What is the InChIKey of 6-chloro-4-phenyl-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)quinoline?
The InChIKey is FXEKONNOBJEKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN6/c22-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(20-24-26-27-25-20)21(23-17)28-11-5-2-6-12-28/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,24,25,26,27).
What are the key properties of 6-chloro-4-phenyl-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)quinoline?
6-chloro-4-phenyl-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)quinoline has a molecular weight of 390.88 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-phenyl-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)quinoline is sourced from PubChem (CID 71556425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).