2-(8-aminoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide

C19H19N3O2 — CID 110451276

IUPAC2-(8-aminoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)Cc2ccc3cccc(N)c3n2)cc1
InChIInChI=1S/C19H19N3O2/c1-24-16-9-5-13(6-10-16)12-21-18(23)11-15-8-7-14-3-2-4-17(20)19(14)22-15/h2-10H,11-12,20H2,1H3,(H,21,23)
InChIKeyZMPSPXBJBLALIB-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.68
Rot. Bonds5

About 2-(8-aminoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide

2-(8-aminoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 110451276) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(8-aminoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(8-aminoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID110451276
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-(8-aminoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)Cc2ccc3cccc(N)c3n2)cc1
InChIInChI=1S/C19H19N3O2/c1-24-16-9-5-13(6-10-16)12-21-18(23)11-15-8-7-14-3-2-4-17(20)19(14)22-15/h2-10H,11-12,20H2,1H3,(H,21,23)
InChIKeyZMPSPXBJBLALIB-UHFFFAOYSA-N
XLogP2.68
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(8-aminoquinolin-2-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 110451298
2-(8-aminoquinolin-2-yl)-N-butylacetamide
CID 82547447
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51163773
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
2-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 2544461
2-[[2-(8-aminoquinolin-2-yl)acetyl]amino]-4-methylpentanoic acid
CID 110451199
N-[(4-methoxyphenyl)methyl]-2-sulfanylacetamide
CID 58957123
(2R)-N-[(4-methoxyphenyl)methyl]-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide
CID 26002941
2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 142729709
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540
N-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7772407
2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 885776

Frequently Asked Questions

What is the IUPAC name of 2-(8-aminoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(8-aminoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide (CID 110451276) is 2-(8-aminoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(8-aminoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(8-aminoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)Cc2ccc3cccc(N)c3n2)cc1.
What is the InChIKey of 2-(8-aminoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is ZMPSPXBJBLALIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-24-16-9-5-13(6-10-16)12-21-18(23)11-15-8-7-14-3-2-4-17(20)19(14)22-15/h2-10H,11-12,20H2,1H3,(H,21,23).
What are the key properties of 2-(8-aminoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
2-(8-aminoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 321.38 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-aminoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 110451276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).