3-(6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(2-propan-2-ylphenyl)propanamide

C23H28N2O3 — CID 139751012

IUPAC3-(6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(2-propan-2-ylphenyl)propanamide
SMILESCOc1ccc2c(c1)CCC(C)N2C(=O)CC(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C23H28N2O3/c1-15(2)19-7-5-6-8-20(19)24-22(26)14-23(27)25-16(3)9-10-17-13-18(28-4)11-12-21(17)25/h5-8,11-13,15-16H,9-10,14H2,1-4H3,(H,24,26)
InChIKeyLUFUJKHBLSRINJ-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.52
Rot. Bonds5

About 3-(6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(2-propan-2-ylphenyl)propanamide

3-(6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 139751012) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-(6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(2-propan-2-ylphenyl)propanamide
PubChem CID139751012
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name3-(6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(2-propan-2-ylphenyl)propanamide
SMILESCOc1ccc2c(c1)CCC(C)N2C(=O)CC(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C23H28N2O3/c1-15(2)19-7-5-6-8-20(19)24-22(26)14-23(27)25-16(3)9-10-17-13-18(28-4)11-12-21(17)25/h5-8,11-13,15-16H,9-10,14H2,1-4H3,(H,24,26)
InChIKeyLUFUJKHBLSRINJ-UHFFFAOYSA-N
XLogP4.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-3-(2-ethyl-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide
CID 139751007
N-[2,6-di(propan-2-yl)phenyl]-3-(2-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-oxopropanamide
CID 139751019
N-[2,6-di(propan-2-yl)phenyl]-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide
CID 139751023
2-(2,4-dimethoxyanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 37479068
2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 8832070
3-oxo-N-(2-propan-2-ylphenyl)-3-pyrrolidin-1-ylpropanamide
CID 108942028
3-methoxy-N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]benzamide
CID 46756320
1-O-ethyl 2-O-methyl 6-methoxy-3,4-dihydro-2H-quinoline-1,2-dicarboxylate
CID 19039847
3-oxo-3-piperidin-1-yl-N-(2-propan-2-ylphenyl)propanamide
CID 108942407
2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 2652884
N-[2-(4-methoxyphenoxy)ethyl]-N'-(2-propan-2-ylphenyl)propanediamide
CID 108951318
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2,4-dimethoxybenzoate
CID 2505093

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-(6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(2-propan-2-ylphenyl)propanamide (CID 139751012) is 3-(6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-(6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-(6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(2-propan-2-ylphenyl)propanamide is COc1ccc2c(c1)CCC(C)N2C(=O)CC(=O)Nc1ccccc1C(C)C.
What is the InChIKey of 3-(6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is LUFUJKHBLSRINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-15(2)19-7-5-6-8-20(19)24-22(26)14-23(27)25-16(3)9-10-17-13-18(28-4)11-12-21(17)25/h5-8,11-13,15-16H,9-10,14H2,1-4H3,(H,24,26).
What are the key properties of 3-(6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(2-propan-2-ylphenyl)propanamide?
3-(6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 380.49 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 139751012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).