N-(3-methoxyisoquinolin-1-yl)-2-(2H-tetrazol-5-yl)acetamide

C13H12N6O2 — CID 166387793

IUPACN-(3-methoxyisoquinolin-1-yl)-2-(2H-tetrazol-5-yl)acetamide
SMILESCOc1cc2ccccc2c(NC(=O)Cc2nn[nH]n2)n1
InChIInChI=1S/C13H12N6O2/c1-21-12-6-8-4-2-3-5-9(8)13(15-12)14-11(20)7-10-16-18-19-17-10/h2-6H,7H2,1H3,(H,14,15,20)(H,16,17,18,19)
InChIKeyNDTUYJULCGMYAS-UHFFFAOYSA-N
MW284.28 g/mol
LogP0.94
Rot. Bonds4

About N-(3-methoxyisoquinolin-1-yl)-2-(2H-tetrazol-5-yl)acetamide

N-(3-methoxyisoquinolin-1-yl)-2-(2H-tetrazol-5-yl)acetamide (PubChem CID 166387793) has the molecular formula C13H12N6O2 and a molecular weight of 284.28 g/mol. Its IUPAC name is N-(3-methoxyisoquinolin-1-yl)-2-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxyisoquinolin-1-yl)-2-(2H-tetrazol-5-yl)acetamide
PubChem CID166387793
Molecular FormulaC13H12N6O2
Molecular Weight284.28 g/mol
Exact Mass284.10
IUPAC NameN-(3-methoxyisoquinolin-1-yl)-2-(2H-tetrazol-5-yl)acetamide
SMILESCOc1cc2ccccc2c(NC(=O)Cc2nn[nH]n2)n1
InChIInChI=1S/C13H12N6O2/c1-21-12-6-8-4-2-3-5-9(8)13(15-12)14-11(20)7-10-16-18-19-17-10/h2-6H,7H2,1H3,(H,14,15,20)(H,16,17,18,19)
InChIKeyNDTUYJULCGMYAS-UHFFFAOYSA-N
XLogP0.94
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methyl-2-pyridinyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499525
N-(2-hydroxyphenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499452
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2H-tetrazol-5-yl)acetamide
CID 110502649
N-(2-chlorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499380
N-(4-phenyl-1,3-thiazol-2-yl)-2-(2H-tetrazol-5-yl)acetamide
CID 110502623
methyl 3-[[2-(2H-tetrazol-5-yl)acetyl]amino]thiophene-2-carboxylate
CID 110499554
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499410
N-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499439
N-(3-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499400
N-(2,3-dimethylphenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499379
2-(3,4-dimethoxyphenyl)-N-(1H-indazol-3-yl)acetamide
CID 155530819
N-(3-methylsulfanylphenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499506

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyisoquinolin-1-yl)-2-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of N-(3-methoxyisoquinolin-1-yl)-2-(2H-tetrazol-5-yl)acetamide (CID 166387793) is N-(3-methoxyisoquinolin-1-yl)-2-(2H-tetrazol-5-yl)acetamide.
What is the SMILES notation for N-(3-methoxyisoquinolin-1-yl)-2-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for N-(3-methoxyisoquinolin-1-yl)-2-(2H-tetrazol-5-yl)acetamide is COc1cc2ccccc2c(NC(=O)Cc2nn[nH]n2)n1.
What is the InChIKey of N-(3-methoxyisoquinolin-1-yl)-2-(2H-tetrazol-5-yl)acetamide?
The InChIKey is NDTUYJULCGMYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O2/c1-21-12-6-8-4-2-3-5-9(8)13(15-12)14-11(20)7-10-16-18-19-17-10/h2-6H,7H2,1H3,(H,14,15,20)(H,16,17,18,19).
What are the key properties of N-(3-methoxyisoquinolin-1-yl)-2-(2H-tetrazol-5-yl)acetamide?
N-(3-methoxyisoquinolin-1-yl)-2-(2H-tetrazol-5-yl)acetamide has a molecular weight of 284.28 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyisoquinolin-1-yl)-2-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 166387793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).