2-[3-(aminomethyl)-2-benzyl-4-phenylquinolin-6-yl]oxyacetamide

C25H23N3O2 — CID 68829605

IUPAC2-[3-(aminomethyl)-2-benzyl-4-phenylquinolin-6-yl]oxyacetamide
SMILESNCc1c(Cc2ccccc2)nc2ccc(OCC(N)=O)cc2c1-c1ccccc1
InChIInChI=1S/C25H23N3O2/c26-15-21-23(13-17-7-3-1-4-8-17)28-22-12-11-19(30-16-24(27)29)14-20(22)25(21)18-9-5-2-6-10-18/h1-12,14H,13,15-16,26H2,(H2,27,29)
InChIKeyIQEFWNFFSCIXOC-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.82
Rot. Bonds7

About 2-[3-(aminomethyl)-2-benzyl-4-phenylquinolin-6-yl]oxyacetamide

2-[3-(aminomethyl)-2-benzyl-4-phenylquinolin-6-yl]oxyacetamide (PubChem CID 68829605) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-2-benzyl-4-phenylquinolin-6-yl]oxyacetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)-2-benzyl-4-phenylquinolin-6-yl]oxyacetamide
PubChem CID68829605
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name2-[3-(aminomethyl)-2-benzyl-4-phenylquinolin-6-yl]oxyacetamide
SMILESNCc1c(Cc2ccccc2)nc2ccc(OCC(N)=O)cc2c1-c1ccccc1
InChIInChI=1S/C25H23N3O2/c26-15-21-23(13-17-7-3-1-4-8-17)28-22-12-11-19(30-16-24(27)29)14-20(22)25(21)18-9-5-2-6-10-18/h1-12,14H,13,15-16,26H2,(H2,27,29)
InChIKeyIQEFWNFFSCIXOC-UHFFFAOYSA-N
XLogP3.82
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ethacridine
CID 2017
7-Methoxytacrine
CID 119053
9-Amino-2-methoxyacridine
CID 18867
Acridine, 9-(p-anisidino)-
CID 43640
2-[(6-methoxy-2-methyl-4-quinolyl)oxy]-N-(2-methoxyphenyl)acetamide
CID 70685044
2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-(4-pentylphenyl)acetamide
CID 137653074
N-[(2-methylquinolin-4-yl)methyl]-2-(4-nitrophenoxy)acetamide
CID 1503106
N-benzyl-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide
CID 70682976
N-(4-ethoxyphenyl)-2,8-dimethylquinolin-4-amine
CID 715734
N-(4-ethoxyphenyl)-2,6-dimethylquinolin-4-amine
CID 798218
1-Fluoro-3-(2-(4-(methylamino)phenyl)quinolin-6-yloxy)propan-2-ol
CID 69620381
4-[6-(2-Fluoroethoxy)-2-quinolinyl]benzenamine
CID 76023983

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-2-benzyl-4-phenylquinolin-6-yl]oxyacetamide?
The IUPAC name of 2-[3-(aminomethyl)-2-benzyl-4-phenylquinolin-6-yl]oxyacetamide (CID 68829605) is 2-[3-(aminomethyl)-2-benzyl-4-phenylquinolin-6-yl]oxyacetamide.
What is the SMILES notation for 2-[3-(aminomethyl)-2-benzyl-4-phenylquinolin-6-yl]oxyacetamide?
The canonical SMILES for 2-[3-(aminomethyl)-2-benzyl-4-phenylquinolin-6-yl]oxyacetamide is NCc1c(Cc2ccccc2)nc2ccc(OCC(N)=O)cc2c1-c1ccccc1.
What is the InChIKey of 2-[3-(aminomethyl)-2-benzyl-4-phenylquinolin-6-yl]oxyacetamide?
The InChIKey is IQEFWNFFSCIXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c26-15-21-23(13-17-7-3-1-4-8-17)28-22-12-11-19(30-16-24(27)29)14-20(22)25(21)18-9-5-2-6-10-18/h1-12,14H,13,15-16,26H2,(H2,27,29).
What are the key properties of 2-[3-(aminomethyl)-2-benzyl-4-phenylquinolin-6-yl]oxyacetamide?
2-[3-(aminomethyl)-2-benzyl-4-phenylquinolin-6-yl]oxyacetamide has a molecular weight of 397.48 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-2-benzyl-4-phenylquinolin-6-yl]oxyacetamide is sourced from PubChem (CID 68829605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).