3-(dimethylamino)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide

C21H23N3O2 — CID 110662792

IUPAC3-(dimethylamino)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
SMILESCc1ccc2[nH]c(=O)c(CCNC(=O)c3cccc(N(C)C)c3)cc2c1
InChIInChI=1S/C21H23N3O2/c1-14-7-8-19-17(11-14)12-16(21(26)23-19)9-10-22-20(25)15-5-4-6-18(13-15)24(2)3/h4-8,11-13H,9-10H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyUNTKNILCJLKGJO-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.88
Rot. Bonds5

About 3-(dimethylamino)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide

3-(dimethylamino)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide (PubChem CID 110662792) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
PubChem CID110662792
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name3-(dimethylamino)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
SMILESCc1ccc2[nH]c(=O)c(CCNC(=O)c3cccc(N(C)C)c3)cc2c1
InChIInChI=1S/C21H23N3O2/c1-14-7-8-19-17(11-14)12-16(21(26)23-19)9-10-22-20(25)15-5-4-6-18(13-15)24(2)3/h4-8,11-13H,9-10H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyUNTKNILCJLKGJO-UHFFFAOYSA-N
XLogP2.88
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetamido-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110662798
N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 71684039
N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzamide
CID 110326259
N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzamide
CID 110326012
N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110326009
3-(dimethylamino)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide
CID 136664785
N-methyl-3-(6-methyl-2-oxo-1H-quinolin-3-yl)-N-phenylpropanamide
CID 110331251
N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbenzamide
CID 7080098
3-(dimethylamino)-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide
CID 110666436
N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 110325904
N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzamide
CID 110326114
N-(3,4-dimethylphenyl)-3-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1392960

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide (CID 110662792) is 3-(dimethylamino)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide is Cc1ccc2[nH]c(=O)c(CCNC(=O)c3cccc(N(C)C)c3)cc2c1.
What is the InChIKey of 3-(dimethylamino)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide?
The InChIKey is UNTKNILCJLKGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14-7-8-19-17(11-14)12-16(21(26)23-19)9-10-22-20(25)15-5-4-6-18(13-15)24(2)3/h4-8,11-13H,9-10H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of 3-(dimethylamino)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide?
3-(dimethylamino)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide has a molecular weight of 349.43 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide is sourced from PubChem (CID 110662792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).