N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-propoxyacetamide

C21H29N3O3 — CID 121442417

IUPACN-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-propoxyacetamide
SMILESCCCOCC(=O)NC1CCC(Oc2cccc3nc(C)cc(N)c23)CC1
InChIInChI=1S/C21H29N3O3/c1-3-11-26-13-20(25)24-15-7-9-16(10-8-15)27-19-6-4-5-18-21(19)17(22)12-14(2)23-18/h4-6,12,15-16H,3,7-11,13H2,1-2H3,(H2,22,23)(H,24,25)
InChIKeyVHGQMGFMMXUTHL-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.36
Rot. Bonds7

About N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-propoxyacetamide

N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-propoxyacetamide (PubChem CID 121442417) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-propoxyacetamide.

Molecular Properties

Compound NameN-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-propoxyacetamide
PubChem CID121442417
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC NameN-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-propoxyacetamide
SMILESCCCOCC(=O)NC1CCC(Oc2cccc3nc(C)cc(N)c23)CC1
InChIInChI=1S/C21H29N3O3/c1-3-11-26-13-20(25)24-15-7-9-16(10-8-15)27-19-6-4-5-18-21(19)17(22)12-14(2)23-18/h4-6,12,15-16H,3,7-11,13H2,1-2H3,(H2,22,23)(H,24,25)
InChIKeyVHGQMGFMMXUTHL-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-propoxyacetamide?
The IUPAC name of N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-propoxyacetamide (CID 121442417) is N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-propoxyacetamide.
What is the SMILES notation for N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-propoxyacetamide?
The canonical SMILES for N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-propoxyacetamide is CCCOCC(=O)NC1CCC(Oc2cccc3nc(C)cc(N)c23)CC1.
What is the InChIKey of N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-propoxyacetamide?
The InChIKey is VHGQMGFMMXUTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-3-11-26-13-20(25)24-15-7-9-16(10-8-15)27-19-6-4-5-18-21(19)17(22)12-14(2)23-18/h4-6,12,15-16H,3,7-11,13H2,1-2H3,(H2,22,23)(H,24,25).
What are the key properties of N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-propoxyacetamide?
N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-propoxyacetamide has a molecular weight of 371.48 g/mol, XLogP of 3.36, 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-methylquinolin-5-yl)oxycyclohexyl]-2-propoxyacetamide is sourced from PubChem (CID 121442417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).