3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethyl-3-oxo-N-quinolin-8-ylpropanamide

C23H23N3O2 — CID 108964021

IUPAC3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethyl-3-oxo-N-quinolin-8-ylpropanamide
SMILESCC(C)(C(=O)Nc1cccc2cccnc12)C(=O)N1CCc2ccccc2C1
InChIInChI=1S/C23H23N3O2/c1-23(2,22(28)26-14-12-16-7-3-4-8-18(16)15-26)21(27)25-19-11-5-9-17-10-6-13-24-20(17)19/h3-11,13H,12,14-15H2,1-2H3,(H,25,27)
InChIKeyBZWONEJAWGJDIR-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.78
Rot. Bonds3

About 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethyl-3-oxo-N-quinolin-8-ylpropanamide

3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethyl-3-oxo-N-quinolin-8-ylpropanamide (PubChem CID 108964021) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethyl-3-oxo-N-quinolin-8-ylpropanamide.

Molecular Properties

Compound Name3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethyl-3-oxo-N-quinolin-8-ylpropanamide
PubChem CID108964021
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethyl-3-oxo-N-quinolin-8-ylpropanamide
SMILESCC(C)(C(=O)Nc1cccc2cccnc12)C(=O)N1CCc2ccccc2C1
InChIInChI=1S/C23H23N3O2/c1-23(2,22(28)26-14-12-16-7-3-4-8-18(16)15-26)21(27)25-19-11-5-9-17-10-6-13-24-20(17)19/h3-11,13H,12,14-15H2,1-2H3,(H,25,27)
InChIKeyBZWONEJAWGJDIR-UHFFFAOYSA-N
XLogP3.78
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethyl-3-oxo-N-quinolin-8-ylpropanamide with MolForge

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Related Compounds

N-(2,4-dichlorophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethyl-3-oxopropanamide
CID 108964026
3,4-dihydro-1H-isoquinolin-2-yl-[4-(quinolin-8-ylamino)-2-pyridinyl]methanone
CID 109213831
2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-quinolin-8-ylpropanediamide
CID 108968465
2,2-dimethyl-N-quinolin-8-ylpropanamide;molecular hydrogen
CID 143593011
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109308071
3,4-dihydro-1H-isoquinolin-2-yl-[5-(quinolin-8-ylamino)-3-pyridinyl]methanone
CID 109236105
3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethyl-3-oxo-N-propylpropanamide
CID 108957012
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylpropan-1-one
CID 5197459
2-(4-methylpiperazin-1-yl)-2-oxo-N-quinolin-8-ylacetamide
CID 108517149
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethyl-3-morpholin-4-ylpropane-1,3-dione
CID 108959834
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-2-(methylamino)propan-1-one
CID 62834313
3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-quinolin-8-ylpropanamide
CID 108953424

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethyl-3-oxo-N-quinolin-8-ylpropanamide?
The IUPAC name of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethyl-3-oxo-N-quinolin-8-ylpropanamide (CID 108964021) is 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethyl-3-oxo-N-quinolin-8-ylpropanamide.
What is the SMILES notation for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethyl-3-oxo-N-quinolin-8-ylpropanamide?
The canonical SMILES for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethyl-3-oxo-N-quinolin-8-ylpropanamide is CC(C)(C(=O)Nc1cccc2cccnc12)C(=O)N1CCc2ccccc2C1.
What is the InChIKey of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethyl-3-oxo-N-quinolin-8-ylpropanamide?
The InChIKey is BZWONEJAWGJDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-23(2,22(28)26-14-12-16-7-3-4-8-18(16)15-26)21(27)25-19-11-5-9-17-10-6-13-24-20(17)19/h3-11,13H,12,14-15H2,1-2H3,(H,25,27).
What are the key properties of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethyl-3-oxo-N-quinolin-8-ylpropanamide?
3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethyl-3-oxo-N-quinolin-8-ylpropanamide has a molecular weight of 373.46 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethyl-3-oxo-N-quinolin-8-ylpropanamide is sourced from PubChem (CID 108964021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).