N-(2-aminophenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide

C18H21N3O — CID 18069905

IUPACN-(2-aminophenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESCC1CCc2ccccc2N1CC(=O)Nc1ccccc1N
InChIInChI=1S/C18H21N3O/c1-13-10-11-14-6-2-5-9-17(14)21(13)12-18(22)20-16-8-4-3-7-15(16)19/h2-9,13H,10-12,19H2,1H3,(H,20,22)
InChIKeyVDSREENYIWCLKU-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.05
Rot. Bonds3

About N-(2-aminophenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide

N-(2-aminophenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide (PubChem CID 18069905) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
PubChem CID18069905
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN-(2-aminophenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESCC1CCc2ccccc2N1CC(=O)Nc1ccccc1N
InChIInChI=1S/C18H21N3O/c1-13-10-11-14-6-2-5-9-17(14)21(13)12-18(22)20-16-8-4-3-7-15(16)19/h2-9,13H,10-12,19H2,1H3,(H,20,22)
InChIKeyVDSREENYIWCLKU-UHFFFAOYSA-N
XLogP3.05
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide;dihydrochloride
CID 119422356
2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 8724752
2-[[2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]amino]thiophene-3-carboxamide
CID 8724940
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 24566730
N-(4-methoxyphenyl)-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide
CID 8724702
methyl 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetate
CID 43089229
N-(2-fluorophenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 2652898
2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 8593706
2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 51930856
2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 18154420
N-(2-ethylphenyl)-2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 22198917
N-(2-methoxy-4-nitrophenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 55355667

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide?
The IUPAC name of N-(2-aminophenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide (CID 18069905) is N-(2-aminophenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide.
What is the SMILES notation for N-(2-aminophenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide?
The canonical SMILES for N-(2-aminophenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide is CC1CCc2ccccc2N1CC(=O)Nc1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide?
The InChIKey is VDSREENYIWCLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-13-10-11-14-6-2-5-9-17(14)21(13)12-18(22)20-16-8-4-3-7-15(16)19/h2-9,13H,10-12,19H2,1H3,(H,20,22).
What are the key properties of N-(2-aminophenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide?
N-(2-aminophenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide has a molecular weight of 295.39 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide is sourced from PubChem (CID 18069905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).