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

C18H21N3O2 — CID 122277171

IUPAC3-methyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
SMILESCc1cccc(C(=O)NCCn2nc3c(cc2=O)CCCC3)c1
InChIInChI=1S/C18H21N3O2/c1-13-5-4-7-15(11-13)18(23)19-9-10-21-17(22)12-14-6-2-3-8-16(14)20-21/h4-5,7,11-12H,2-3,6,8-10H2,1H3,(H,19,23)
InChIKeyIRYDORZNIMYTEV-UHFFFAOYSA-N
MW311.38 g/mol
LogP1.86
Rot. Bonds4

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

3-methyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide (PubChem CID 122277171) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 3-methyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
PubChem CID122277171
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name3-methyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
SMILESCc1cccc(C(=O)NCCn2nc3c(cc2=O)CCCC3)c1
InChIInChI=1S/C18H21N3O2/c1-13-5-4-7-15(11-13)18(23)19-9-10-21-17(22)12-14-6-2-3-8-16(14)20-21/h4-5,7,11-12H,2-3,6,8-10H2,1H3,(H,19,23)
InChIKeyIRYDORZNIMYTEV-UHFFFAOYSA-N
XLogP1.86
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(dimethylamino)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277262
3-chloro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzamide
CID 122280591
3-methyl-4-nitro-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277359
N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 122277380
4-fluoro-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277170
3-methyl-4-nitro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzamide
CID 122280625
1-methyl-6-oxo-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]pyridazine-3-carboxamide
CID 122277284
5-bromo-2-methyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277460
2-(4-methylbenzoyl)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzamide
CID 122280397
4-methyl-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]thiophene-2-carboxamide
CID 122280642

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide?
The IUPAC name of 3-methyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide (CID 122277171) is 3-methyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-methyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide?
The canonical SMILES for 3-methyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide is Cc1cccc(C(=O)NCCn2nc3c(cc2=O)CCCC3)c1.
What is the InChIKey of 3-methyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide?
The InChIKey is IRYDORZNIMYTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-5-4-7-15(11-13)18(23)19-9-10-21-17(22)12-14-6-2-3-8-16(14)20-21/h4-5,7,11-12H,2-3,6,8-10H2,1H3,(H,19,23).
What are the key properties of 3-methyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide?
3-methyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide has a molecular weight of 311.38 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide is sourced from PubChem (CID 122277171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).