2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylphenyl)acetamide

C18H21N3O — CID 43823754

IUPAC2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CN1CCCc2cc(N)ccc21
InChIInChI=1S/C18H21N3O/c1-13-5-2-3-7-16(13)20-18(22)12-21-10-4-6-14-11-15(19)8-9-17(14)21/h2-3,5,7-9,11H,4,6,10,12,19H2,1H3,(H,20,22)
InChIKeyYCPLZZDYZLODRQ-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.97
Rot. Bonds3

About 2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylphenyl)acetamide

2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylphenyl)acetamide (PubChem CID 43823754) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylphenyl)acetamide
PubChem CID43823754
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CN1CCCc2cc(N)ccc21
InChIInChI=1S/C18H21N3O/c1-13-5-2-3-7-16(13)20-18(22)12-21-10-4-6-14-11-15(19)8-9-17(14)21/h2-3,5,7-9,11H,4,6,10,12,19H2,1H3,(H,20,22)
InChIKeyYCPLZZDYZLODRQ-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dihydroindol-1-yl)-N-(2-methylphenyl)acetamide
CID 22199881
N-(2-cyanophenyl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 8593510
ethyl 2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)acetate
CID 60735402
N-(2-chloro-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 8686621
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 2099393
N-(4-amino-2-methoxyphenyl)-2-(2,3-dihydroindol-1-yl)acetamide
CID 16793869
2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-N-cyclopropyl-N-methylacetamide
CID 61489538
N-(4-amino-2-methylphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 16794615
2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide
CID 34948033
1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-(2-methylphenyl)urea
CID 23607928
N-(4-chloro-2-methylphenyl)-2-(2,3-dihydroindol-1-yl)acetamide
CID 109007270
2-(2,3-dihydroindol-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 18084883

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylphenyl)acetamide (CID 43823754) is 2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CN1CCCc2cc(N)ccc21.
What is the InChIKey of 2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylphenyl)acetamide?
The InChIKey is YCPLZZDYZLODRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-13-5-2-3-7-16(13)20-18(22)12-21-10-4-6-14-11-15(19)8-9-17(14)21/h2-3,5,7-9,11H,4,6,10,12,19H2,1H3,(H,20,22).
What are the key properties of 2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylphenyl)acetamide?
2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylphenyl)acetamide has a molecular weight of 295.39 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 43823754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).