N-acetyl-N-(3-aminophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide

C19H19N3O3 — CID 108505664

IUPACN-acetyl-N-(3-aminophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide
SMILESCC(=O)N(C(=O)C(=O)N1CCCc2ccccc21)c1cccc(N)c1
InChIInChI=1S/C19H19N3O3/c1-13(23)22(16-9-4-8-15(20)12-16)19(25)18(24)21-11-5-7-14-6-2-3-10-17(14)21/h2-4,6,8-10,12H,5,7,11,20H2,1H3
InChIKeyZYBFAKSBCXEXNK-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.13
Rot. Bonds1

About N-acetyl-N-(3-aminophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide

N-acetyl-N-(3-aminophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide (PubChem CID 108505664) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-acetyl-N-(3-aminophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-acetyl-N-(3-aminophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide
PubChem CID108505664
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-acetyl-N-(3-aminophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide
SMILESCC(=O)N(C(=O)C(=O)N1CCCc2ccccc21)c1cccc(N)c1
InChIInChI=1S/C19H19N3O3/c1-13(23)22(16-9-4-8-15(20)12-16)19(25)18(24)21-11-5-7-14-6-2-3-10-17(14)21/h2-4,6,8-10,12H,5,7,11,20H2,1H3
InChIKeyZYBFAKSBCXEXNK-UHFFFAOYSA-N
XLogP2.13
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-2-oxo-N-phenylacetamide
CID 108505624
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[3-(dimethylamino)phenyl]-2-oxoacetamide
CID 108505690
N-(4-aminophenyl)-2-(2,3-dihydroindol-1-yl)-2-oxo-N-phenylacetamide
CID 108525488
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489
(4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 2984117
N'-acetyl-N'-(3-aminophenyl)-N-methyl-N-phenyloxamide
CID 108520930
N-acetyl-N-(2-aminoethyl)-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108531260
3,4-dihydro-2H-quinolin-1-yl-[3-(N-methylanilino)sulfanylphenyl]methanone
CID 170976861
3-amino-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide
CID 19607806
2-(2,3-dihydroindol-1-yl)-N-methyl-2-oxo-N-phenylacetamide
CID 108521001
(2-amino-6-methoxyphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81393898
3,4-dihydro-2H-quinolin-1-yl-(2,6-dimethoxyphenyl)methanone
CID 5061013

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-(3-aminophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide?
The IUPAC name of N-acetyl-N-(3-aminophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide (CID 108505664) is N-acetyl-N-(3-aminophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-acetyl-N-(3-aminophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-acetyl-N-(3-aminophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide is CC(=O)N(C(=O)C(=O)N1CCCc2ccccc21)c1cccc(N)c1.
What is the InChIKey of N-acetyl-N-(3-aminophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide?
The InChIKey is ZYBFAKSBCXEXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-13(23)22(16-9-4-8-15(20)12-16)19(25)18(24)21-11-5-7-14-6-2-3-10-17(14)21/h2-4,6,8-10,12H,5,7,11,20H2,1H3.
What are the key properties of N-acetyl-N-(3-aminophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide?
N-acetyl-N-(3-aminophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide has a molecular weight of 337.38 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-(3-aminophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 108505664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).