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

C22H13Cl2N5 — CID 2815430

IUPAC6-chloro-3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-phenylquinoline
SMILESClc1ccc(-n2nnnc2-c2cnc3ccc(Cl)cc3c2-c2ccccc2)cc1
InChIInChI=1S/C22H13Cl2N5/c23-15-6-9-17(10-7-15)29-22(26-27-28-29)19-13-25-20-11-8-16(24)12-18(20)21(19)14-4-2-1-3-5-14/h1-13H
InChIKeyVMUQUCUYUBHCEI-UHFFFAOYSA-N
MW418.29 g/mol
LogP5.85
Rot. Bonds3

About 6-chloro-3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-phenylquinoline

6-chloro-3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-phenylquinoline (PubChem CID 2815430) has the molecular formula C22H13Cl2N5 and a molecular weight of 418.29 g/mol. Its IUPAC name is 6-chloro-3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-phenylquinoline.

Molecular Properties

Compound Name6-chloro-3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-phenylquinoline
PubChem CID2815430
Molecular FormulaC22H13Cl2N5
Molecular Weight418.29 g/mol
Exact Mass417.05
IUPAC Name6-chloro-3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-phenylquinoline
SMILESClc1ccc(-n2nnnc2-c2cnc3ccc(Cl)cc3c2-c2ccccc2)cc1
InChIInChI=1S/C22H13Cl2N5/c23-15-6-9-17(10-7-15)29-22(26-27-28-29)19-13-25-20-11-8-16(24)12-18(20)21(19)14-4-2-1-3-5-14/h1-13H
InChIKeyVMUQUCUYUBHCEI-UHFFFAOYSA-N
XLogP5.85
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.29
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-phenylquinoline?
The IUPAC name of 6-chloro-3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-phenylquinoline (CID 2815430) is 6-chloro-3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-phenylquinoline.
What is the SMILES notation for 6-chloro-3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-phenylquinoline?
The canonical SMILES for 6-chloro-3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-phenylquinoline is Clc1ccc(-n2nnnc2-c2cnc3ccc(Cl)cc3c2-c2ccccc2)cc1.
What is the InChIKey of 6-chloro-3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-phenylquinoline?
The InChIKey is VMUQUCUYUBHCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13Cl2N5/c23-15-6-9-17(10-7-15)29-22(26-27-28-29)19-13-25-20-11-8-16(24)12-18(20)21(19)14-4-2-1-3-5-14/h1-13H.
What are the key properties of 6-chloro-3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-phenylquinoline?
6-chloro-3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-phenylquinoline has a molecular weight of 418.29 g/mol, XLogP of 5.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-phenylquinoline is sourced from PubChem (CID 2815430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).