2-(8-aminoquinolin-2-yl)-N-(2-propan-2-ylphenyl)acetamide

C20H21N3O — CID 110451248

IUPAC2-(8-aminoquinolin-2-yl)-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccccc1NC(=O)Cc1ccc2cccc(N)c2n1
InChIInChI=1S/C20H21N3O/c1-13(2)16-7-3-4-9-18(16)23-19(24)12-15-11-10-14-6-5-8-17(21)20(14)22-15/h3-11,13H,12,21H2,1-2H3,(H,23,24)
InChIKeyUSEWIXPNBXABBJ-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.12
Rot. Bonds4

About 2-(8-aminoquinolin-2-yl)-N-(2-propan-2-ylphenyl)acetamide

2-(8-aminoquinolin-2-yl)-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 110451248) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-(8-aminoquinolin-2-yl)-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(8-aminoquinolin-2-yl)-N-(2-propan-2-ylphenyl)acetamide
PubChem CID110451248
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name2-(8-aminoquinolin-2-yl)-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccccc1NC(=O)Cc1ccc2cccc(N)c2n1
InChIInChI=1S/C20H21N3O/c1-13(2)16-7-3-4-9-18(16)23-19(24)12-15-11-10-14-6-5-8-17(21)20(14)22-15/h3-11,13H,12,21H2,1-2H3,(H,23,24)
InChIKeyUSEWIXPNBXABBJ-UHFFFAOYSA-N
XLogP4.12
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.12
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

2-(8-aminoquinolin-2-yl)-N-(2-hydroxypropyl)acetamide
CID 82547391
2-(8-aminoquinolin-2-yl)-N-ethylacetamide
CID 82547485
2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 110450658
2-(8-aminoquinolin-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 110451329
N-(2-propan-2-ylphenyl)propanamide
CID 723442
2-iodo-N-(2-propan-2-ylphenyl)acetamide
CID 4198881
2-(8-aminoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 110451276
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 110450657
3-amino-N-(2-propan-2-ylphenyl)propanamide;hydrochloride
CID 71828995
2-(4-methylsulfonylphenyl)-N-(2-propan-2-ylphenyl)acetamide
CID 110771330
2-(4-methyl-1,3-thiazol-2-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 110484551
N'-naphthalen-1-yl-N-(2-propan-2-ylphenyl)oxamide
CID 108500558

Frequently Asked Questions

What is the IUPAC name of 2-(8-aminoquinolin-2-yl)-N-(2-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(8-aminoquinolin-2-yl)-N-(2-propan-2-ylphenyl)acetamide (CID 110451248) is 2-(8-aminoquinolin-2-yl)-N-(2-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(8-aminoquinolin-2-yl)-N-(2-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(8-aminoquinolin-2-yl)-N-(2-propan-2-ylphenyl)acetamide is CC(C)c1ccccc1NC(=O)Cc1ccc2cccc(N)c2n1.
What is the InChIKey of 2-(8-aminoquinolin-2-yl)-N-(2-propan-2-ylphenyl)acetamide?
The InChIKey is USEWIXPNBXABBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-13(2)16-7-3-4-9-18(16)23-19(24)12-15-11-10-14-6-5-8-17(21)20(14)22-15/h3-11,13H,12,21H2,1-2H3,(H,23,24).
What are the key properties of 2-(8-aminoquinolin-2-yl)-N-(2-propan-2-ylphenyl)acetamide?
2-(8-aminoquinolin-2-yl)-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 319.41 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-aminoquinolin-2-yl)-N-(2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 110451248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).