2-chloro-3-[(5-phenyltetrazol-2-yl)methyl]quinoline

C17H12ClN5 — CID 7594689

IUPAC2-chloro-3-[(5-phenyltetrazol-2-yl)methyl]quinoline
SMILESClc1nc2ccccc2cc1Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C17H12ClN5/c18-16-14(10-13-8-4-5-9-15(13)19-16)11-23-21-17(20-22-23)12-6-2-1-3-7-12/h1-10H,11H2
InChIKeyZFJSZDUSJGHIQA-UHFFFAOYSA-N
MW321.77 g/mol
LogP3.59
Rot. Bonds3

About 2-chloro-3-[(5-phenyltetrazol-2-yl)methyl]quinoline

2-chloro-3-[(5-phenyltetrazol-2-yl)methyl]quinoline (PubChem CID 7594689) has the molecular formula C17H12ClN5 and a molecular weight of 321.77 g/mol. Its IUPAC name is 2-chloro-3-[(5-phenyltetrazol-2-yl)methyl]quinoline.

Molecular Properties

Compound Name2-chloro-3-[(5-phenyltetrazol-2-yl)methyl]quinoline
PubChem CID7594689
Molecular FormulaC17H12ClN5
Molecular Weight321.77 g/mol
Exact Mass321.08
IUPAC Name2-chloro-3-[(5-phenyltetrazol-2-yl)methyl]quinoline
SMILESClc1nc2ccccc2cc1Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C17H12ClN5/c18-16-14(10-13-8-4-5-9-15(13)19-16)11-23-21-17(20-22-23)12-6-2-1-3-7-12/h1-10H,11H2
InChIKeyZFJSZDUSJGHIQA-UHFFFAOYSA-N
XLogP3.59
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-3-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]quinoline
CID 8685232
2-[(3-chlorophenyl)methyl]-5-phenyltetrazole
CID 7278082
2-chloro-3-(piperidin-1-ylmethyl)quinoline
CID 60669623
3-benzyl-2-chloroquinoline
CID 14001237
(2-chloroquinolin-3-yl)methanamine
CID 71748539
2-chloro-5-[(5-phenyltetrazol-2-yl)methyl]pyrazine
CID 103054482
2-[(4,5-dimethoxy-2-methylphenyl)methyl]-5-phenyltetrazole
CID 7278075
5-(3-chlorophenyl)-2-[(2-methylphenyl)methyl]tetrazole
CID 7490709
2-chloro-3-(2,3-dihydroindol-1-ylmethyl)quinoline
CID 60669763
2-[(5-phenyltetrazol-2-yl)methyl]pyridine
CID 134010962
2-[(5-phenyltetrazol-2-yl)methyl]furo[3,2-c]quinoline
CID 142717491
1-[(2-chloroquinolin-3-yl)methyl]piperidine-2,6-dione
CID 60921459

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(5-phenyltetrazol-2-yl)methyl]quinoline?
The IUPAC name of 2-chloro-3-[(5-phenyltetrazol-2-yl)methyl]quinoline (CID 7594689) is 2-chloro-3-[(5-phenyltetrazol-2-yl)methyl]quinoline.
What is the SMILES notation for 2-chloro-3-[(5-phenyltetrazol-2-yl)methyl]quinoline?
The canonical SMILES for 2-chloro-3-[(5-phenyltetrazol-2-yl)methyl]quinoline is Clc1nc2ccccc2cc1Cn1nnc(-c2ccccc2)n1.
What is the InChIKey of 2-chloro-3-[(5-phenyltetrazol-2-yl)methyl]quinoline?
The InChIKey is ZFJSZDUSJGHIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5/c18-16-14(10-13-8-4-5-9-15(13)19-16)11-23-21-17(20-22-23)12-6-2-1-3-7-12/h1-10H,11H2.
What are the key properties of 2-chloro-3-[(5-phenyltetrazol-2-yl)methyl]quinoline?
2-chloro-3-[(5-phenyltetrazol-2-yl)methyl]quinoline has a molecular weight of 321.77 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[(5-phenyltetrazol-2-yl)methyl]quinoline is sourced from PubChem (CID 7594689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).