3-acetamido-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylbenzamide

C21H23N3O3 — CID 53125829

IUPAC3-acetamido-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylbenzamide
SMILESCC(=O)Nc1cccc(C(=O)NCC(=O)N2CCCc3ccccc32)c1C
InChIInChI=1S/C21H23N3O3/c1-14-17(9-5-10-18(14)23-15(2)25)21(27)22-13-20(26)24-12-6-8-16-7-3-4-11-19(16)24/h3-5,7,9-11H,6,8,12-13H2,1-2H3,(H,22,27)(H,23,25)
InChIKeyUITGAKIPKSUPAA-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.66
Rot. Bonds4

About 3-acetamido-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylbenzamide

3-acetamido-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylbenzamide (PubChem CID 53125829) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 3-acetamido-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylbenzamide.

Molecular Properties

Compound Name3-acetamido-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylbenzamide
PubChem CID53125829
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name3-acetamido-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylbenzamide
SMILESCC(=O)Nc1cccc(C(=O)NCC(=O)N2CCCc3ccccc32)c1C
InChIInChI=1S/C21H23N3O3/c1-14-17(9-5-10-18(14)23-15(2)25)21(27)22-13-20(26)24-12-6-8-16-7-3-4-11-19(16)24/h3-5,7,9-11H,6,8,12-13H2,1-2H3,(H,22,27)(H,23,25)
InChIKeyUITGAKIPKSUPAA-UHFFFAOYSA-N
XLogP2.66
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 71937420
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112996355
N-[2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 47714484
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(dimethylamino)benzamide
CID 53125847
N-[2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 53125842
N-(3-acetamidophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide
CID 108953400
2-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]propanamide;hydrochloride
CID 119302463
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 51160617
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 51160588
2-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-phenylpropanamide
CID 120590099
2-(tert-butylamino)-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone
CID 78928291
3-chloro-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-hydroxybenzamide
CID 47078456

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylbenzamide?
The IUPAC name of 3-acetamido-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylbenzamide (CID 53125829) is 3-acetamido-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylbenzamide.
What is the SMILES notation for 3-acetamido-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylbenzamide?
The canonical SMILES for 3-acetamido-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylbenzamide is CC(=O)Nc1cccc(C(=O)NCC(=O)N2CCCc3ccccc32)c1C.
What is the InChIKey of 3-acetamido-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylbenzamide?
The InChIKey is UITGAKIPKSUPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14-17(9-5-10-18(14)23-15(2)25)21(27)22-13-20(26)24-12-6-8-16-7-3-4-11-19(16)24/h3-5,7,9-11H,6,8,12-13H2,1-2H3,(H,22,27)(H,23,25).
What are the key properties of 3-acetamido-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylbenzamide?
3-acetamido-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylbenzamide has a molecular weight of 365.43 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylbenzamide is sourced from PubChem (CID 53125829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).