2-(benzotriazol-1-yl)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide

C18H20N6O2 — CID 122277400

IUPAC2-(benzotriazol-1-yl)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide
SMILESO=C(Cn1nnc2ccccc21)NCCn1nc2c(cc1=O)CCCC2
InChIInChI=1S/C18H20N6O2/c25-17(12-24-16-8-4-3-7-15(16)20-22-24)19-9-10-23-18(26)11-13-5-1-2-6-14(13)21-23/h3-4,7-8,11H,1-2,5-6,9-10,12H2,(H,19,25)
InChIKeyNUVODLLBFAWDMU-UHFFFAOYSA-N
MW352.40 g/mol
LogP0.68
Rot. Bonds5

About 2-(benzotriazol-1-yl)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide

2-(benzotriazol-1-yl)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide (PubChem CID 122277400) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide
PubChem CID122277400
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name2-(benzotriazol-1-yl)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide
SMILESO=C(Cn1nnc2ccccc21)NCCn1nc2c(cc1=O)CCCC2
InChIInChI=1S/C18H20N6O2/c25-17(12-24-16-8-4-3-7-15(16)20-22-24)19-9-10-23-18(26)11-13-5-1-2-6-14(13)21-23/h3-4,7-8,11H,1-2,5-6,9-10,12H2,(H,19,25)
InChIKeyNUVODLLBFAWDMU-UHFFFAOYSA-N
XLogP0.68
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(benzotriazol-1-yl)-N-(2-piperidin-1-ylethyl)acetamide
CID 10379321
N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 122277144
N-(3,3-diphenylpropyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
CID 52900698
N-[2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)ethyl]benzamide
CID 46961824
N-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
CID 75465953
2,2,2-trifluoro-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide
CID 122277358
2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]acetamide
CID 122280800
2-(2-fluorophenoxy)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide
CID 122277156
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide
CID 122277346
2-(benzotriazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 162786952
N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-pyridin-4-ylsulfanylacetamide
CID 122277375
2-chloro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzamide
CID 122160633

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide (CID 122277400) is 2-(benzotriazol-1-yl)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide is O=C(Cn1nnc2ccccc21)NCCn1nc2c(cc1=O)CCCC2.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide?
The InChIKey is NUVODLLBFAWDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c25-17(12-24-16-8-4-3-7-15(16)20-22-24)19-9-10-23-18(26)11-13-5-1-2-6-14(13)21-23/h3-4,7-8,11H,1-2,5-6,9-10,12H2,(H,19,25).
What are the key properties of 2-(benzotriazol-1-yl)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide?
2-(benzotriazol-1-yl)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide has a molecular weight of 352.40 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide is sourced from PubChem (CID 122277400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).