3,4-dimethyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide

C19H23N3O2 — CID 122277173

IUPAC3,4-dimethyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCn2nc3c(cc2=O)CCCC3)cc1C
InChIInChI=1S/C19H23N3O2/c1-13-7-8-16(11-14(13)2)19(24)20-9-10-22-18(23)12-15-5-3-4-6-17(15)21-22/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,20,24)
InChIKeyWTCLAPSFUBMMRZ-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.17
Rot. Bonds4

About 3,4-dimethyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide

3,4-dimethyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide (PubChem CID 122277173) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
PubChem CID122277173
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3,4-dimethyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCn2nc3c(cc2=O)CCCC3)cc1C
InChIInChI=1S/C19H23N3O2/c1-13-7-8-16(11-14(13)2)19(24)20-9-10-22-18(23)12-15-5-3-4-6-17(15)21-22/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,20,24)
InChIKeyWTCLAPSFUBMMRZ-UHFFFAOYSA-N
XLogP2.17
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-nitro-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277359
3-methyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277171
3-methyl-4-nitro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzamide
CID 122280625
4-fluoro-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277170
N-[2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)ethyl]benzamide
CID 46961824
N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 122277380
5-bromo-2-methyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277460
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
1-methyl-6-oxo-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]pyridazine-3-carboxamide
CID 122277284
3-chloro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzamide
CID 122280591
4-butoxy-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzamide
CID 122280450

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide (CID 122277173) is 3,4-dimethyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide is Cc1ccc(C(=O)NCCn2nc3c(cc2=O)CCCC3)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide?
The InChIKey is WTCLAPSFUBMMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13-7-8-16(11-14(13)2)19(24)20-9-10-22-18(23)12-15-5-3-4-6-17(15)21-22/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,20,24).
What are the key properties of 3,4-dimethyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide?
3,4-dimethyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide has a molecular weight of 325.41 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide is sourced from PubChem (CID 122277173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).