N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2H-benzotriazole-5-carboxamide

C17H18N6O2 — CID 122277380

IUPACN-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2H-benzotriazole-5-carboxamide
SMILESO=C(NCCn1nc2c(cc1=O)CCCC2)c1ccc2n[nH]nc2c1
InChIInChI=1S/C17H18N6O2/c24-16-10-11-3-1-2-4-13(11)21-23(16)8-7-18-17(25)12-5-6-14-15(9-12)20-22-19-14/h5-6,9-10H,1-4,7-8H2,(H,18,25)(H,19,20,22)
InChIKeyRDZOHRUXKPANHC-UHFFFAOYSA-N
MW338.37 g/mol
LogP0.82
Rot. Bonds4

About N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2H-benzotriazole-5-carboxamide

N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2H-benzotriazole-5-carboxamide (PubChem CID 122277380) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2H-benzotriazole-5-carboxamide
PubChem CID122277380
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC NameN-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2H-benzotriazole-5-carboxamide
SMILESO=C(NCCn1nc2c(cc1=O)CCCC2)c1ccc2n[nH]nc2c1
InChIInChI=1S/C17H18N6O2/c24-16-10-11-3-1-2-4-13(11)21-23(16)8-7-18-17(25)12-5-6-14-15(9-12)20-22-19-14/h5-6,9-10H,1-4,7-8H2,(H,18,25)(H,19,20,22)
InChIKeyRDZOHRUXKPANHC-UHFFFAOYSA-N
XLogP0.82
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277170
3,4-dimethyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277173
N-[2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)ethyl]benzamide
CID 46961824
3-methyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277171
3-chloro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzamide
CID 122280591
4-cyano-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277293
3-(dimethylamino)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277262
2-oxo-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-1,3-dihydroimidazole-4-carboxamide
CID 122277383
N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 122277494
3-methyl-4-nitro-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277359
1-methyl-6-oxo-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]pyridazine-3-carboxamide
CID 122277284
3-methyl-4-nitro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzamide
CID 122280625

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2H-benzotriazole-5-carboxamide (CID 122277380) is N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2H-benzotriazole-5-carboxamide is O=C(NCCn1nc2c(cc1=O)CCCC2)c1ccc2n[nH]nc2c1.
What is the InChIKey of N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2H-benzotriazole-5-carboxamide?
The InChIKey is RDZOHRUXKPANHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c24-16-10-11-3-1-2-4-13(11)21-23(16)8-7-18-17(25)12-5-6-14-15(9-12)20-22-19-14/h5-6,9-10H,1-4,7-8H2,(H,18,25)(H,19,20,22).
What are the key properties of N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2H-benzotriazole-5-carboxamide?
N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2H-benzotriazole-5-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 122277380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).