3-(dimethylamino)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide

C19H24N4O2 — CID 122277262

IUPAC3-(dimethylamino)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
SMILESCN(C)c1cccc(C(=O)NCCn2nc3c(cc2=O)CCCC3)c1
InChIInChI=1S/C19H24N4O2/c1-22(2)16-8-5-7-15(12-16)19(25)20-10-11-23-18(24)13-14-6-3-4-9-17(14)21-23/h5,7-8,12-13H,3-4,6,9-11H2,1-2H3,(H,20,25)
InChIKeyVHNZWRFJZVKZBL-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.62
Rot. Bonds5

About 3-(dimethylamino)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide

3-(dimethylamino)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide (PubChem CID 122277262) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
PubChem CID122277262
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name3-(dimethylamino)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
SMILESCN(C)c1cccc(C(=O)NCCn2nc3c(cc2=O)CCCC3)c1
InChIInChI=1S/C19H24N4O2/c1-22(2)16-8-5-7-15(12-16)19(25)20-10-11-23-18(24)13-14-6-3-4-9-17(14)21-23/h5,7-8,12-13H,3-4,6,9-11H2,1-2H3,(H,20,25)
InChIKeyVHNZWRFJZVKZBL-UHFFFAOYSA-N
XLogP1.62
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277171
N-[2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)ethyl]benzamide
CID 46961824
3-chloro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzamide
CID 122280591
3,4-dimethyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277173
N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 122277380
1-methyl-6-oxo-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]pyridazine-3-carboxamide
CID 122277284
4-fluoro-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277170
4-cyano-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277293
N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 122277458
3-methyl-4-nitro-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277359
2-chloro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzamide
CID 122160633
5-bromo-2-methyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277460

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide (CID 122277262) is 3-(dimethylamino)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide is CN(C)c1cccc(C(=O)NCCn2nc3c(cc2=O)CCCC3)c1.
What is the InChIKey of 3-(dimethylamino)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide?
The InChIKey is VHNZWRFJZVKZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-22(2)16-8-5-7-15(12-16)19(25)20-10-11-23-18(24)13-14-6-3-4-9-17(14)21-23/h5,7-8,12-13H,3-4,6,9-11H2,1-2H3,(H,20,25).
What are the key properties of 3-(dimethylamino)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide?
3-(dimethylamino)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide has a molecular weight of 340.43 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide is sourced from PubChem (CID 122277262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).