2-[3-(aminomethyl)-4-phenyl-2-propylquinolin-6-yl]oxyacetamide

C21H23N3O2 — CID 68829854

IUPAC2-[3-(aminomethyl)-4-phenyl-2-propylquinolin-6-yl]oxyacetamide
SMILESCCCc1nc2ccc(OCC(N)=O)cc2c(-c2ccccc2)c1CN
InChIInChI=1S/C21H23N3O2/c1-2-6-18-17(12-22)21(14-7-4-3-5-8-14)16-11-15(26-13-20(23)25)9-10-19(16)24-18/h3-5,7-11H,2,6,12-13,22H2,1H3,(H2,23,25)
InChIKeyBFVFHEOLUOACED-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.18
Rot. Bonds7

About 2-[3-(aminomethyl)-4-phenyl-2-propylquinolin-6-yl]oxyacetamide

2-[3-(aminomethyl)-4-phenyl-2-propylquinolin-6-yl]oxyacetamide (PubChem CID 68829854) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-4-phenyl-2-propylquinolin-6-yl]oxyacetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)-4-phenyl-2-propylquinolin-6-yl]oxyacetamide
PubChem CID68829854
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-[3-(aminomethyl)-4-phenyl-2-propylquinolin-6-yl]oxyacetamide
SMILESCCCc1nc2ccc(OCC(N)=O)cc2c(-c2ccccc2)c1CN
InChIInChI=1S/C21H23N3O2/c1-2-6-18-17(12-22)21(14-7-4-3-5-8-14)16-11-15(26-13-20(23)25)9-10-19(16)24-18/h3-5,7-11H,2,6,12-13,22H2,1H3,(H2,23,25)
InChIKeyBFVFHEOLUOACED-UHFFFAOYSA-N
XLogP3.18
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ethacridine Lactate
CID 15789
Ethacridine
CID 2017
alpha-Pentyl-3-(2-quinolinylmethoxy)benzenemethanol
CID 5059
Propanoic acid, 2-hydroxy-, compd. with 7-ethoxy-3,9-acridinediamine, hydrate (1:1:1)
CID 165457
7-Methoxytacrine
CID 119053
9-Amino-2-methoxyacridine
CID 18867
2-[(6-methoxy-2-methyl-4-quinolyl)oxy]-N-(2-methoxyphenyl)acetamide
CID 70685044
6-Ethoxy-2-methylquinoline
CID 81118
4-Methyl-7-({3-[(Methylamino)methyl]phenoxy}methyl)quinolin-2-Amine
CID 124136836
(S)-N-Hydroxy-2-{(R)-1-[4-(2-methyl-quinolin-4-ylmethoxy)-phenyl]-2-oxo-pyrrolidin-3-yl}-propionamide
CID 9953861
2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-(4-pentylphenyl)acetamide
CID 137653074
N-(4-ethoxyphenyl)-2-methoxyquinoline-4-carboxamide
CID 705265

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-4-phenyl-2-propylquinolin-6-yl]oxyacetamide?
The IUPAC name of 2-[3-(aminomethyl)-4-phenyl-2-propylquinolin-6-yl]oxyacetamide (CID 68829854) is 2-[3-(aminomethyl)-4-phenyl-2-propylquinolin-6-yl]oxyacetamide.
What is the SMILES notation for 2-[3-(aminomethyl)-4-phenyl-2-propylquinolin-6-yl]oxyacetamide?
The canonical SMILES for 2-[3-(aminomethyl)-4-phenyl-2-propylquinolin-6-yl]oxyacetamide is CCCc1nc2ccc(OCC(N)=O)cc2c(-c2ccccc2)c1CN.
What is the InChIKey of 2-[3-(aminomethyl)-4-phenyl-2-propylquinolin-6-yl]oxyacetamide?
The InChIKey is BFVFHEOLUOACED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-2-6-18-17(12-22)21(14-7-4-3-5-8-14)16-11-15(26-13-20(23)25)9-10-19(16)24-18/h3-5,7-11H,2,6,12-13,22H2,1H3,(H2,23,25).
What are the key properties of 2-[3-(aminomethyl)-4-phenyl-2-propylquinolin-6-yl]oxyacetamide?
2-[3-(aminomethyl)-4-phenyl-2-propylquinolin-6-yl]oxyacetamide has a molecular weight of 349.43 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-4-phenyl-2-propylquinolin-6-yl]oxyacetamide is sourced from PubChem (CID 68829854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).