2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-quinolin-3-ylacetamide

C18H13ClN6O — CID 78839406

IUPAC2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-quinolin-3-ylacetamide
SMILESO=C(Cn1nnc(-c2ccc(Cl)cc2)n1)Nc1cnc2ccccc2c1
InChIInChI=1S/C18H13ClN6O/c19-14-7-5-12(6-8-14)18-22-24-25(23-18)11-17(26)21-15-9-13-3-1-2-4-16(13)20-10-15/h1-10H,11H2,(H,21,26)
InChIKeyGGDFCLDMTHYQGH-UHFFFAOYSA-N
MW364.80 g/mol
LogP3.18
Rot. Bonds4

About 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-quinolin-3-ylacetamide

2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-quinolin-3-ylacetamide (PubChem CID 78839406) has the molecular formula C18H13ClN6O and a molecular weight of 364.80 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-quinolin-3-ylacetamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-quinolin-3-ylacetamide
PubChem CID78839406
Molecular FormulaC18H13ClN6O
Molecular Weight364.80 g/mol
Exact Mass364.08
IUPAC Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-quinolin-3-ylacetamide
SMILESO=C(Cn1nnc(-c2ccc(Cl)cc2)n1)Nc1cnc2ccccc2c1
InChIInChI=1S/C18H13ClN6O/c19-14-7-5-12(6-8-14)18-22-24-25(23-18)11-17(26)21-15-9-13-3-1-2-4-16(13)20-10-15/h1-10H,11H2,(H,21,26)
InChIKeyGGDFCLDMTHYQGH-UHFFFAOYSA-N
XLogP3.18
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.80
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-quinolin-3-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 8850893
4-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]-N,N-diethylbenzamide
CID 42016506
N-(4-chlorophenyl)-2-[(S)-[2-oxo-2-(quinolin-3-ylamino)ethyl]sulfinyl]acetamide
CID 51508267
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide
CID 860418
2-[5-(4-aminophenyl)tetrazol-2-yl]-N-(3-chlorophenyl)acetamide
CID 1463687
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(6-cyclopropyl-2-pyridinyl)acetamide
CID 138042768
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(cyanomethyl)phenyl]acetamide
CID 5299248
2-[5-[4-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]phenyl]tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide
CID 1448588
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 863218
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 4775242
2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-phenylacetamide
CID 860998
N-(4-chloro-2-fluorophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 9355146

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-quinolin-3-ylacetamide?
The IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-quinolin-3-ylacetamide (CID 78839406) is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-quinolin-3-ylacetamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-quinolin-3-ylacetamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-quinolin-3-ylacetamide is O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)Nc1cnc2ccccc2c1.
What is the InChIKey of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-quinolin-3-ylacetamide?
The InChIKey is GGDFCLDMTHYQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN6O/c19-14-7-5-12(6-8-14)18-22-24-25(23-18)11-17(26)21-15-9-13-3-1-2-4-16(13)20-10-15/h1-10H,11H2,(H,21,26).
What are the key properties of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-quinolin-3-ylacetamide?
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-quinolin-3-ylacetamide has a molecular weight of 364.80 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-quinolin-3-ylacetamide is sourced from PubChem (CID 78839406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).