3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-phenylquinoline

C22H14ClN5 — CID 2812439

IUPAC3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-phenylquinoline
SMILESClc1ccc(-n2nnnc2-c2cnc3ccccc3c2-c2ccccc2)cc1
InChIInChI=1S/C22H14ClN5/c23-16-10-12-17(13-11-16)28-22(25-26-27-28)19-14-24-20-9-5-4-8-18(20)21(19)15-6-2-1-3-7-15/h1-14H
InChIKeyXQGRZXSIQZEYDA-UHFFFAOYSA-N
MW383.84 g/mol
LogP5.20
Rot. Bonds3

About 3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-phenylquinoline

3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-phenylquinoline (PubChem CID 2812439) has the molecular formula C22H14ClN5 and a molecular weight of 383.84 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-phenylquinoline.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-phenylquinoline
PubChem CID2812439
Molecular FormulaC22H14ClN5
Molecular Weight383.84 g/mol
Exact Mass383.09
IUPAC Name3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-phenylquinoline
SMILESClc1ccc(-n2nnnc2-c2cnc3ccccc3c2-c2ccccc2)cc1
InChIInChI=1S/C22H14ClN5/c23-16-10-12-17(13-11-16)28-22(25-26-27-28)19-14-24-20-9-5-4-8-18(20)21(19)15-6-2-1-3-7-15/h1-14H
InChIKeyXQGRZXSIQZEYDA-UHFFFAOYSA-N
XLogP5.20
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.84
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-phenylquinoline?
The IUPAC name of 3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-phenylquinoline (CID 2812439) is 3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-phenylquinoline.
What is the SMILES notation for 3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-phenylquinoline?
The canonical SMILES for 3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-phenylquinoline is Clc1ccc(-n2nnnc2-c2cnc3ccccc3c2-c2ccccc2)cc1.
What is the InChIKey of 3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-phenylquinoline?
The InChIKey is XQGRZXSIQZEYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClN5/c23-16-10-12-17(13-11-16)28-22(25-26-27-28)19-14-24-20-9-5-4-8-18(20)21(19)15-6-2-1-3-7-15/h1-14H.
What are the key properties of 3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-phenylquinoline?
3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-phenylquinoline has a molecular weight of 383.84 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-phenylquinoline is sourced from PubChem (CID 2812439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).