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

C22H25N3O2 — CID 56659853

IUPAC2-[3-(aminomethyl)-2-(2-methylpropyl)-4-phenylquinolin-6-yl]oxyacetamide
SMILESCC(C)Cc1nc2ccc(OCC(N)=O)cc2c(-c2ccccc2)c1CN
InChIInChI=1S/C22H25N3O2/c1-14(2)10-20-18(12-23)22(15-6-4-3-5-7-15)17-11-16(27-13-21(24)26)8-9-19(17)25-20/h3-9,11,14H,10,12-13,23H2,1-2H3,(H2,24,26)
InChIKeyFYGLQYNWOKXQFN-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.42
Rot. Bonds7

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

2-[3-(aminomethyl)-2-(2-methylpropyl)-4-phenylquinolin-6-yl]oxyacetamide (PubChem CID 56659853) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-2-(2-methylpropyl)-4-phenylquinolin-6-yl]oxyacetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)-2-(2-methylpropyl)-4-phenylquinolin-6-yl]oxyacetamide
PubChem CID56659853
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name2-[3-(aminomethyl)-2-(2-methylpropyl)-4-phenylquinolin-6-yl]oxyacetamide
SMILESCC(C)Cc1nc2ccc(OCC(N)=O)cc2c(-c2ccccc2)c1CN
InChIInChI=1S/C22H25N3O2/c1-14(2)10-20-18(12-23)22(15-6-4-3-5-7-15)17-11-16(27-13-21(24)26)8-9-19(17)25-20/h3-9,11,14H,10,12-13,23H2,1-2H3,(H2,24,26)
InChIKeyFYGLQYNWOKXQFN-UHFFFAOYSA-N
XLogP3.42
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(aminomethyl)-2-(2-methylpropyl)-4-thiophen-2-ylquinolin-6-yl]oxyacetamide
CID 68828791
2-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetic acid;dihydrochloride
CID 68828690
methyl 2-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetate;dihydrochloride
CID 90664828
2-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxy-N-methylacetamide;dihydrochloride
CID 68830038
2-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxypropanamide
CID 91246603
2-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyethyl ethaneperoxoate
CID 87715905
2-[3-cyano-4-(4-fluorophenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetamide
CID 68830062
[4-(4-methylphenyl)-2-(2-methylpropyl)-6-(2H-tetrazol-5-ylmethoxy)quinolin-3-yl]methanamine;dihydrochloride
CID 68828698
(4-methylphenyl)sulfonyl 2-[2-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyethoxy]acetate
CID 87590892
[6-[2-(methylamino)-2-oxoethoxy]-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-3-yl]methylcarbamic acid
CID 68829831
[6-(4-amino-4-oxobutoxy)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-3-yl]methyl N-tert-butylcarbamate
CID 91370597
[6-(cyanomethoxy)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-3-yl]methylcarbamic acid
CID 68834233

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-2-(2-methylpropyl)-4-phenylquinolin-6-yl]oxyacetamide?
The IUPAC name of 2-[3-(aminomethyl)-2-(2-methylpropyl)-4-phenylquinolin-6-yl]oxyacetamide (CID 56659853) is 2-[3-(aminomethyl)-2-(2-methylpropyl)-4-phenylquinolin-6-yl]oxyacetamide.
What is the SMILES notation for 2-[3-(aminomethyl)-2-(2-methylpropyl)-4-phenylquinolin-6-yl]oxyacetamide?
The canonical SMILES for 2-[3-(aminomethyl)-2-(2-methylpropyl)-4-phenylquinolin-6-yl]oxyacetamide is CC(C)Cc1nc2ccc(OCC(N)=O)cc2c(-c2ccccc2)c1CN.
What is the InChIKey of 2-[3-(aminomethyl)-2-(2-methylpropyl)-4-phenylquinolin-6-yl]oxyacetamide?
The InChIKey is FYGLQYNWOKXQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-14(2)10-20-18(12-23)22(15-6-4-3-5-7-15)17-11-16(27-13-21(24)26)8-9-19(17)25-20/h3-9,11,14H,10,12-13,23H2,1-2H3,(H2,24,26).
What are the key properties of 2-[3-(aminomethyl)-2-(2-methylpropyl)-4-phenylquinolin-6-yl]oxyacetamide?
2-[3-(aminomethyl)-2-(2-methylpropyl)-4-phenylquinolin-6-yl]oxyacetamide has a molecular weight of 363.46 g/mol, XLogP of 3.42, 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-(2-methylpropyl)-4-phenylquinolin-6-yl]oxyacetamide is sourced from PubChem (CID 56659853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).