2-(3,4-dihydro-2H-quinolin-1-yl)-N-[3-(dimethylamino)phenyl]-2-oxoacetamide

C19H21N3O2 — CID 108505690

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-N-[3-(dimethylamino)phenyl]-2-oxoacetamide
SMILESCN(C)c1cccc(NC(=O)C(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C19H21N3O2/c1-21(2)16-10-5-9-15(13-16)20-18(23)19(24)22-12-6-8-14-7-3-4-11-17(14)22/h3-5,7,9-11,13H,6,8,12H2,1-2H3,(H,20,23)
InChIKeyIASFCSSZGCPNPC-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.67
Rot. Bonds2

About 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[3-(dimethylamino)phenyl]-2-oxoacetamide

2-(3,4-dihydro-2H-quinolin-1-yl)-N-[3-(dimethylamino)phenyl]-2-oxoacetamide (PubChem CID 108505690) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[3-(dimethylamino)phenyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-[3-(dimethylamino)phenyl]-2-oxoacetamide
PubChem CID108505690
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-[3-(dimethylamino)phenyl]-2-oxoacetamide
SMILESCN(C)c1cccc(NC(=O)C(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C19H21N3O2/c1-21(2)16-10-5-9-15(13-16)20-18(23)19(24)22-12-6-8-14-7-3-4-11-17(14)22/h3-5,7,9-11,13H,6,8,12H2,1-2H3,(H,20,23)
InChIKeyIASFCSSZGCPNPC-UHFFFAOYSA-N
XLogP2.67
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methylsulfanylphenyl)-2-oxoacetamide
CID 108505619
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-ethylphenyl)-2-oxoacetamide
CID 108505707
N-(4-chloro-2-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide
CID 108505647
2-(2,3-dihydroindol-1-yl)-N-(3-fluorophenyl)-2-oxoacetamide
CID 108531920
2-(2,3-dihydroindol-1-yl)-2-oxo-N-phenylacetamide
CID 108521834
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-hydroxy-2-methylphenyl)-2-oxoacetamide
CID 108505557
2-(4-acetylpiperazin-1-yl)-N-[3-(dimethylamino)phenyl]-2-oxoacetamide
CID 108508411
2-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-2-oxo-N-phenylacetamide
CID 108505624
N-(2-bromo-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide
CID 108505760
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(dimethylamino)benzamide
CID 53125847
2-(2,3-dihydroindol-1-yl)-N-(3,4-dimethylphenyl)-2-oxoacetamide
CID 108523162
N-(2,4-difluorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide
CID 108505775

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[3-(dimethylamino)phenyl]-2-oxoacetamide?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[3-(dimethylamino)phenyl]-2-oxoacetamide (CID 108505690) is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[3-(dimethylamino)phenyl]-2-oxoacetamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[3-(dimethylamino)phenyl]-2-oxoacetamide?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[3-(dimethylamino)phenyl]-2-oxoacetamide is CN(C)c1cccc(NC(=O)C(=O)N2CCCc3ccccc32)c1.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[3-(dimethylamino)phenyl]-2-oxoacetamide?
The InChIKey is IASFCSSZGCPNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-21(2)16-10-5-9-15(13-16)20-18(23)19(24)22-12-6-8-14-7-3-4-11-17(14)22/h3-5,7,9-11,13H,6,8,12H2,1-2H3,(H,20,23).
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[3-(dimethylamino)phenyl]-2-oxoacetamide?
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[3-(dimethylamino)phenyl]-2-oxoacetamide has a molecular weight of 323.40 g/mol, XLogP of 2.67, 2 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-[3-(dimethylamino)phenyl]-2-oxoacetamide is sourced from PubChem (CID 108505690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).