2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-2-oxoacetamide

C20H23N3O2 — CID 95557593

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-2-oxoacetamide
SMILESCC(C)[C@@H](NC(=O)C(=O)N1CCCc2ccccc21)c1ccccn1
InChIInChI=1S/C20H23N3O2/c1-14(2)18(16-10-5-6-12-21-16)22-19(24)20(25)23-13-7-9-15-8-3-4-11-17(15)23/h3-6,8,10-12,14,18H,7,9,13H2,1-2H3,(H,22,24)/t18-/m1/s1
InChIKeyCHQKXLRAIILBBS-GOSISDBHSA-N
MW337.42 g/mol
LogP2.87
Rot. Bonds3

About 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-2-oxoacetamide

2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-2-oxoacetamide (PubChem CID 95557593) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-2-oxoacetamide
PubChem CID95557593
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-2-oxoacetamide
SMILESCC(C)[C@@H](NC(=O)C(=O)N1CCCc2ccccc21)c1ccccn1
InChIInChI=1S/C20H23N3O2/c1-14(2)18(16-10-5-6-12-21-16)22-19(24)20(25)23-13-7-9-15-8-3-4-11-17(15)23/h3-6,8,10-12,14,18H,7,9,13H2,1-2H3,(H,22,24)/t18-/m1/s1
InChIKeyCHQKXLRAIILBBS-GOSISDBHSA-N
XLogP2.87
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-2-oxoacetamide with MolForge

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Launch Full Analysis

Related Compounds

2-[(3S)-3-methyl-2,3-dihydroindol-1-yl]-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-2-oxoacetamide
CID 95773587
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(5-methyl-2-pyridinyl)-2-oxoacetamide
CID 108505780
N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 95551290
2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 108505562
[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]carbamic acid
CID 70362593
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 4883425
N-(2-butan-2-ylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide
CID 108505764
[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]urea
CID 47097542
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-ethylphenyl)-2-oxoacetamide
CID 108505707
3,4-dihydro-2H-quinolin-1-yl-[5-(propan-2-ylamino)-2-pyridinyl]methanone
CID 109179730
2-chloro-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 3271608
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 51168048

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-2-oxoacetamide?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-2-oxoacetamide (CID 95557593) is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-2-oxoacetamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-2-oxoacetamide?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-2-oxoacetamide is CC(C)[C@@H](NC(=O)C(=O)N1CCCc2ccccc21)c1ccccn1.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-2-oxoacetamide?
The InChIKey is CHQKXLRAIILBBS-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14(2)18(16-10-5-6-12-21-16)22-19(24)20(25)23-13-7-9-15-8-3-4-11-17(15)23/h3-6,8,10-12,14,18H,7,9,13H2,1-2H3,(H,22,24)/t18-/m1/s1.
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-2-oxoacetamide?
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-2-oxoacetamide has a molecular weight of 337.42 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-2-oxoacetamide is sourced from PubChem (CID 95557593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).