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

C20H23N3O2S — CID 68828791

IUPAC2-[3-(aminomethyl)-2-(2-methylpropyl)-4-thiophen-2-ylquinolin-6-yl]oxyacetamide
SMILESCC(C)Cc1nc2ccc(OCC(N)=O)cc2c(-c2cccs2)c1CN
InChIInChI=1S/C20H23N3O2S/c1-12(2)8-17-15(10-21)20(18-4-3-7-26-18)14-9-13(25-11-19(22)24)5-6-16(14)23-17/h3-7,9,12H,8,10-11,21H2,1-2H3,(H2,22,24)
InChIKeyMDWHUUZRVSSZON-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.48
Rot. Bonds7

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

2-[3-(aminomethyl)-2-(2-methylpropyl)-4-thiophen-2-ylquinolin-6-yl]oxyacetamide (PubChem CID 68828791) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-2-(2-methylpropyl)-4-thiophen-2-ylquinolin-6-yl]oxyacetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)-2-(2-methylpropyl)-4-thiophen-2-ylquinolin-6-yl]oxyacetamide
PubChem CID68828791
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name2-[3-(aminomethyl)-2-(2-methylpropyl)-4-thiophen-2-ylquinolin-6-yl]oxyacetamide
SMILESCC(C)Cc1nc2ccc(OCC(N)=O)cc2c(-c2cccs2)c1CN
InChIInChI=1S/C20H23N3O2S/c1-12(2)8-17-15(10-21)20(18-4-3-7-26-18)14-9-13(25-11-19(22)24)5-6-16(14)23-17/h3-7,9,12H,8,10-11,21H2,1-2H3,(H2,22,24)
InChIKeyMDWHUUZRVSSZON-UHFFFAOYSA-N
XLogP3.48
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(aminomethyl)-2-(2-methylpropyl)-4-phenylquinolin-6-yl]oxyacetamide
CID 56659853
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]oxypropanamide
CID 91246603
2-[3-cyano-4-(4-fluorophenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetamide
CID 68830062
2-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyethyl ethaneperoxoate
CID 87715905
(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
2-(2,4-dichloroquinazolin-6-yl)oxyacetamide
CID 59799617
[6-(cyanomethoxy)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-3-yl]methylcarbamic acid
CID 68834233
methyl 6-methoxy-2-thiophen-2-ylquinoline-4-carboxylate
CID 164676976
[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]-ethylcarbamic acid;dihydrochloride
CID 68828947

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-2-(2-methylpropyl)-4-thiophen-2-ylquinolin-6-yl]oxyacetamide?
The IUPAC name of 2-[3-(aminomethyl)-2-(2-methylpropyl)-4-thiophen-2-ylquinolin-6-yl]oxyacetamide (CID 68828791) is 2-[3-(aminomethyl)-2-(2-methylpropyl)-4-thiophen-2-ylquinolin-6-yl]oxyacetamide.
What is the SMILES notation for 2-[3-(aminomethyl)-2-(2-methylpropyl)-4-thiophen-2-ylquinolin-6-yl]oxyacetamide?
The canonical SMILES for 2-[3-(aminomethyl)-2-(2-methylpropyl)-4-thiophen-2-ylquinolin-6-yl]oxyacetamide is CC(C)Cc1nc2ccc(OCC(N)=O)cc2c(-c2cccs2)c1CN.
What is the InChIKey of 2-[3-(aminomethyl)-2-(2-methylpropyl)-4-thiophen-2-ylquinolin-6-yl]oxyacetamide?
The InChIKey is MDWHUUZRVSSZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-12(2)8-17-15(10-21)20(18-4-3-7-26-18)14-9-13(25-11-19(22)24)5-6-16(14)23-17/h3-7,9,12H,8,10-11,21H2,1-2H3,(H2,22,24).
What are the key properties of 2-[3-(aminomethyl)-2-(2-methylpropyl)-4-thiophen-2-ylquinolin-6-yl]oxyacetamide?
2-[3-(aminomethyl)-2-(2-methylpropyl)-4-thiophen-2-ylquinolin-6-yl]oxyacetamide has a molecular weight of 369.49 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-2-(2-methylpropyl)-4-thiophen-2-ylquinolin-6-yl]oxyacetamide is sourced from PubChem (CID 68828791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).