7-[[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-3,4-dihydro-2H-isoquinolin-1-one

C21H23N3O2 — CID 154834642

IUPAC7-[[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-3,4-dihydro-2H-isoquinolin-1-one
SMILESCC1CCc2ccccc2N1C(=O)CNc1ccc2c(c1)C(=O)NCC2
InChIInChI=1S/C21H23N3O2/c1-14-6-7-16-4-2-3-5-19(16)24(14)20(25)13-23-17-9-8-15-10-11-22-21(26)18(15)12-17/h2-5,8-9,12,14,23H,6-7,10-11,13H2,1H3,(H,22,26)
InChIKeyZDMZCUGHQIZESD-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.75
Rot. Bonds3

About 7-[[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-3,4-dihydro-2H-isoquinolin-1-one

7-[[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 154834642) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 7-[[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name7-[[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-3,4-dihydro-2H-isoquinolin-1-one
PubChem CID154834642
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name7-[[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-3,4-dihydro-2H-isoquinolin-1-one
SMILESCC1CCc2ccccc2N1C(=O)CNc1ccc2c(c1)C(=O)NCC2
InChIInChI=1S/C21H23N3O2/c1-14-6-7-16-4-2-3-5-19(16)24(14)20(25)13-23-17-9-8-15-10-11-22-21(26)18(15)12-17/h2-5,8-9,12,14,23H,6-7,10-11,13H2,1H3,(H,22,26)
InChIKeyZDMZCUGHQIZESD-UHFFFAOYSA-N
XLogP2.75
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-[[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-3,4-dihydro-2H-isoquinolin-1-one with MolForge

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Related Compounds

2-(3,5-dimethylanilino)-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 46538646
2-[4-(difluoromethoxy)anilino]-1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 34067089
2-(2,2-diphenylethylamino)-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 68967214
3-chloro-1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 36690377
N-(4-aminophenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 43468929
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-(4-methylpiperidin-1-yl)anilino]ethanone
CID 109010553
methyl 3-[[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzoate
CID 109010122
2-bromo-2-methyl-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 116816888
N-methyl-2-[4-[[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]phenyl]acetamide
CID 37224123
[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetate
CID 55468371
[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-methylphenoxy)propanoate
CID 46669289
1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-morpholin-2-ylethanone
CID 66434915

Frequently Asked Questions

What is the IUPAC name of 7-[[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-3,4-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 7-[[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-3,4-dihydro-2H-isoquinolin-1-one (CID 154834642) is 7-[[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-3,4-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 7-[[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-3,4-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 7-[[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-3,4-dihydro-2H-isoquinolin-1-one is CC1CCc2ccccc2N1C(=O)CNc1ccc2c(c1)C(=O)NCC2.
What is the InChIKey of 7-[[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-3,4-dihydro-2H-isoquinolin-1-one?
The InChIKey is ZDMZCUGHQIZESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14-6-7-16-4-2-3-5-19(16)24(14)20(25)13-23-17-9-8-15-10-11-22-21(26)18(15)12-17/h2-5,8-9,12,14,23H,6-7,10-11,13H2,1H3,(H,22,26).
What are the key properties of 7-[[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-3,4-dihydro-2H-isoquinolin-1-one?
7-[[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 349.43 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 154834642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).