N-[2-[(4,6-dimethylquinolin-2-yl)-ethylamino]ethyl]-2-hydroxyacetamide

C17H23N3O2 — CID 137417499

IUPACN-[2-[(4,6-dimethylquinolin-2-yl)-ethylamino]ethyl]-2-hydroxyacetamide
SMILESCCN(CCNC(=O)CO)c1cc(C)c2cc(C)ccc2n1
InChIInChI=1S/C17H23N3O2/c1-4-20(8-7-18-17(22)11-21)16-10-13(3)14-9-12(2)5-6-15(14)19-16/h5-6,9-10,21H,4,7-8,11H2,1-3H3,(H,18,22)
InChIKeyOCJUPQKWCUVHPE-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.79
Rot. Bonds6

About N-[2-[(4,6-dimethylquinolin-2-yl)-ethylamino]ethyl]-2-hydroxyacetamide

N-[2-[(4,6-dimethylquinolin-2-yl)-ethylamino]ethyl]-2-hydroxyacetamide (PubChem CID 137417499) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[2-[(4,6-dimethylquinolin-2-yl)-ethylamino]ethyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[2-[(4,6-dimethylquinolin-2-yl)-ethylamino]ethyl]-2-hydroxyacetamide
PubChem CID137417499
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[2-[(4,6-dimethylquinolin-2-yl)-ethylamino]ethyl]-2-hydroxyacetamide
SMILESCCN(CCNC(=O)CO)c1cc(C)c2cc(C)ccc2n1
InChIInChI=1S/C17H23N3O2/c1-4-20(8-7-18-17(22)11-21)16-10-13(3)14-9-12(2)5-6-15(14)19-16/h5-6,9-10,21H,4,7-8,11H2,1-3H3,(H,18,22)
InChIKeyOCJUPQKWCUVHPE-UHFFFAOYSA-N
XLogP1.79
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4,6-dimethylquinolin-2-yl)-ethylamino]ethyl]-2-hydroxyacetamide?
The IUPAC name of N-[2-[(4,6-dimethylquinolin-2-yl)-ethylamino]ethyl]-2-hydroxyacetamide (CID 137417499) is N-[2-[(4,6-dimethylquinolin-2-yl)-ethylamino]ethyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[2-[(4,6-dimethylquinolin-2-yl)-ethylamino]ethyl]-2-hydroxyacetamide?
The canonical SMILES for N-[2-[(4,6-dimethylquinolin-2-yl)-ethylamino]ethyl]-2-hydroxyacetamide is CCN(CCNC(=O)CO)c1cc(C)c2cc(C)ccc2n1.
What is the InChIKey of N-[2-[(4,6-dimethylquinolin-2-yl)-ethylamino]ethyl]-2-hydroxyacetamide?
The InChIKey is OCJUPQKWCUVHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-4-20(8-7-18-17(22)11-21)16-10-13(3)14-9-12(2)5-6-15(14)19-16/h5-6,9-10,21H,4,7-8,11H2,1-3H3,(H,18,22).
What are the key properties of N-[2-[(4,6-dimethylquinolin-2-yl)-ethylamino]ethyl]-2-hydroxyacetamide?
N-[2-[(4,6-dimethylquinolin-2-yl)-ethylamino]ethyl]-2-hydroxyacetamide has a molecular weight of 301.39 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4,6-dimethylquinolin-2-yl)-ethylamino]ethyl]-2-hydroxyacetamide is sourced from PubChem (CID 137417499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).