2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(8-methylquinolin-5-yl)acetamide

C19H15ClN6O — CID 112812582

IUPAC2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(8-methylquinolin-5-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)c2cccnc12
InChIInChI=1S/C19H15ClN6O/c1-12-4-9-16(15-3-2-10-21-18(12)15)22-17(27)11-26-24-19(23-25-26)13-5-7-14(20)8-6-13/h2-10H,11H2,1H3,(H,22,27)
InChIKeyZRKSGOLTYMCKQO-UHFFFAOYSA-N
MW378.82 g/mol
LogP3.49
Rot. Bonds4

About 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(8-methylquinolin-5-yl)acetamide

2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(8-methylquinolin-5-yl)acetamide (PubChem CID 112812582) has the molecular formula C19H15ClN6O and a molecular weight of 378.82 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(8-methylquinolin-5-yl)acetamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(8-methylquinolin-5-yl)acetamide
PubChem CID112812582
Molecular FormulaC19H15ClN6O
Molecular Weight378.82 g/mol
Exact Mass378.10
IUPAC Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(8-methylquinolin-5-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)c2cccnc12
InChIInChI=1S/C19H15ClN6O/c1-12-4-9-16(15-3-2-10-21-18(12)15)22-17(27)11-26-24-19(23-25-26)13-5-7-14(20)8-6-13/h2-10H,11H2,1H3,(H,22,27)
InChIKeyZRKSGOLTYMCKQO-UHFFFAOYSA-N
XLogP3.49
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-bromo-2-methylphenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 26685438
N-(4-chloro-2-fluorophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 9355146
N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 8850893
N-(2-chloro-3-pyridinyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7465851
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 863218
N-(4-chloro-2-methylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7634787
N-(5-chloro-2-methylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide
CID 1166107
N-naphthalen-1-yl-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
CID 859291
N-(2-iodophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 1303765
N-(4-bromo-2-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634164
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(6-cyclopropyl-2-pyridinyl)acetamide
CID 138042768
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-quinolin-3-ylacetamide
CID 78839406

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(8-methylquinolin-5-yl)acetamide?
The IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(8-methylquinolin-5-yl)acetamide (CID 112812582) is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(8-methylquinolin-5-yl)acetamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(8-methylquinolin-5-yl)acetamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(8-methylquinolin-5-yl)acetamide is Cc1ccc(NC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)c2cccnc12.
What is the InChIKey of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(8-methylquinolin-5-yl)acetamide?
The InChIKey is ZRKSGOLTYMCKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN6O/c1-12-4-9-16(15-3-2-10-21-18(12)15)22-17(27)11-26-24-19(23-25-26)13-5-7-14(20)8-6-13/h2-10H,11H2,1H3,(H,22,27).
What are the key properties of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(8-methylquinolin-5-yl)acetamide?
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(8-methylquinolin-5-yl)acetamide has a molecular weight of 378.82 g/mol, XLogP of 3.49, 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-(8-methylquinolin-5-yl)acetamide is sourced from PubChem (CID 112812582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).