N-[4-(4-amino-2-ethylquinolin-5-yl)oxycyclohexyl]-2-ethoxyacetamide

C21H29N3O3 — CID 121442434

IUPACN-[4-(4-amino-2-ethylquinolin-5-yl)oxycyclohexyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NC1CCC(Oc2cccc3nc(CC)cc(N)c23)CC1
InChIInChI=1S/C21H29N3O3/c1-3-14-12-17(22)21-18(23-14)6-5-7-19(21)27-16-10-8-15(9-11-16)24-20(25)13-26-4-2/h5-7,12,15-16H,3-4,8-11,13H2,1-2H3,(H2,22,23)(H,24,25)
InChIKeyKSCAVIOIFJNXDD-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.22
Rot. Bonds7

About N-[4-(4-amino-2-ethylquinolin-5-yl)oxycyclohexyl]-2-ethoxyacetamide

N-[4-(4-amino-2-ethylquinolin-5-yl)oxycyclohexyl]-2-ethoxyacetamide (PubChem CID 121442434) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[4-(4-amino-2-ethylquinolin-5-yl)oxycyclohexyl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[4-(4-amino-2-ethylquinolin-5-yl)oxycyclohexyl]-2-ethoxyacetamide
PubChem CID121442434
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC NameN-[4-(4-amino-2-ethylquinolin-5-yl)oxycyclohexyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NC1CCC(Oc2cccc3nc(CC)cc(N)c23)CC1
InChIInChI=1S/C21H29N3O3/c1-3-14-12-17(22)21-18(23-14)6-5-7-19(21)27-16-10-8-15(9-11-16)24-20(25)13-26-4-2/h5-7,12,15-16H,3-4,8-11,13H2,1-2H3,(H2,22,23)(H,24,25)
InChIKeyKSCAVIOIFJNXDD-UHFFFAOYSA-N
XLogP3.22
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-2-ethylquinolin-5-yl)oxycyclohexyl]-2-ethoxyacetamide?
The IUPAC name of N-[4-(4-amino-2-ethylquinolin-5-yl)oxycyclohexyl]-2-ethoxyacetamide (CID 121442434) is N-[4-(4-amino-2-ethylquinolin-5-yl)oxycyclohexyl]-2-ethoxyacetamide.
What is the SMILES notation for N-[4-(4-amino-2-ethylquinolin-5-yl)oxycyclohexyl]-2-ethoxyacetamide?
The canonical SMILES for N-[4-(4-amino-2-ethylquinolin-5-yl)oxycyclohexyl]-2-ethoxyacetamide is CCOCC(=O)NC1CCC(Oc2cccc3nc(CC)cc(N)c23)CC1.
What is the InChIKey of N-[4-(4-amino-2-ethylquinolin-5-yl)oxycyclohexyl]-2-ethoxyacetamide?
The InChIKey is KSCAVIOIFJNXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-3-14-12-17(22)21-18(23-14)6-5-7-19(21)27-16-10-8-15(9-11-16)24-20(25)13-26-4-2/h5-7,12,15-16H,3-4,8-11,13H2,1-2H3,(H2,22,23)(H,24,25).
What are the key properties of N-[4-(4-amino-2-ethylquinolin-5-yl)oxycyclohexyl]-2-ethoxyacetamide?
N-[4-(4-amino-2-ethylquinolin-5-yl)oxycyclohexyl]-2-ethoxyacetamide has a molecular weight of 371.48 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-2-ethylquinolin-5-yl)oxycyclohexyl]-2-ethoxyacetamide is sourced from PubChem (CID 121442434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).