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

C23H27N3O2 — CID 68829529

IUPAC2-[3-(aminomethyl)-2-(2,2-dimethylpropyl)-4-phenylquinolin-6-yl]oxyacetamide
SMILESCC(C)(C)Cc1nc2ccc(OCC(N)=O)cc2c(-c2ccccc2)c1CN
InChIInChI=1S/C23H27N3O2/c1-23(2,3)12-20-18(13-24)22(15-7-5-4-6-8-15)17-11-16(28-14-21(25)27)9-10-19(17)26-20/h4-11H,12-14,24H2,1-3H3,(H2,25,27)
InChIKeyOCRKQIRLNYENIN-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.81
Rot. Bonds6

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

2-[3-(aminomethyl)-2-(2,2-dimethylpropyl)-4-phenylquinolin-6-yl]oxyacetamide (PubChem CID 68829529) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-2-(2,2-dimethylpropyl)-4-phenylquinolin-6-yl]oxyacetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)-2-(2,2-dimethylpropyl)-4-phenylquinolin-6-yl]oxyacetamide
PubChem CID68829529
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name2-[3-(aminomethyl)-2-(2,2-dimethylpropyl)-4-phenylquinolin-6-yl]oxyacetamide
SMILESCC(C)(C)Cc1nc2ccc(OCC(N)=O)cc2c(-c2ccccc2)c1CN
InChIInChI=1S/C23H27N3O2/c1-23(2,3)12-20-18(13-24)22(15-7-5-4-6-8-15)17-11-16(28-14-21(25)27)9-10-19(17)26-20/h4-11H,12-14,24H2,1-3H3,(H2,25,27)
InChIKeyOCRKQIRLNYENIN-UHFFFAOYSA-N
XLogP3.81
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-2-(2,2-dimethylpropyl)-4-phenylquinolin-6-yl]oxyacetamide?
The IUPAC name of 2-[3-(aminomethyl)-2-(2,2-dimethylpropyl)-4-phenylquinolin-6-yl]oxyacetamide (CID 68829529) is 2-[3-(aminomethyl)-2-(2,2-dimethylpropyl)-4-phenylquinolin-6-yl]oxyacetamide.
What is the SMILES notation for 2-[3-(aminomethyl)-2-(2,2-dimethylpropyl)-4-phenylquinolin-6-yl]oxyacetamide?
The canonical SMILES for 2-[3-(aminomethyl)-2-(2,2-dimethylpropyl)-4-phenylquinolin-6-yl]oxyacetamide is CC(C)(C)Cc1nc2ccc(OCC(N)=O)cc2c(-c2ccccc2)c1CN.
What is the InChIKey of 2-[3-(aminomethyl)-2-(2,2-dimethylpropyl)-4-phenylquinolin-6-yl]oxyacetamide?
The InChIKey is OCRKQIRLNYENIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-23(2,3)12-20-18(13-24)22(15-7-5-4-6-8-15)17-11-16(28-14-21(25)27)9-10-19(17)26-20/h4-11H,12-14,24H2,1-3H3,(H2,25,27).
What are the key properties of 2-[3-(aminomethyl)-2-(2,2-dimethylpropyl)-4-phenylquinolin-6-yl]oxyacetamide?
2-[3-(aminomethyl)-2-(2,2-dimethylpropyl)-4-phenylquinolin-6-yl]oxyacetamide has a molecular weight of 377.49 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-2-(2,2-dimethylpropyl)-4-phenylquinolin-6-yl]oxyacetamide is sourced from PubChem (CID 68829529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).