N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-2-quinolin-8-ylacetamide

C21H29N3O2 — CID 95974785

IUPACN-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-2-quinolin-8-ylacetamide
SMILESC[C@@H]1CN(CCCCNC(=O)Cc2cccc3cccnc23)C[C@H](C)O1
InChIInChI=1S/C21H29N3O2/c1-16-14-24(15-17(2)26-16)12-4-3-10-22-20(25)13-19-8-5-7-18-9-6-11-23-21(18)19/h5-9,11,16-17H,3-4,10,12-15H2,1-2H3,(H,22,25)/t16-,17+
InChIKeyOCJDUXNOLXZIHB-CALCHBBNSA-N
MW355.48 g/mol
LogP2.78
Rot. Bonds7

About N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-2-quinolin-8-ylacetamide

N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-2-quinolin-8-ylacetamide (PubChem CID 95974785) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-2-quinolin-8-ylacetamide.

Molecular Properties

Compound NameN-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-2-quinolin-8-ylacetamide
PubChem CID95974785
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC NameN-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-2-quinolin-8-ylacetamide
SMILESC[C@@H]1CN(CCCCNC(=O)Cc2cccc3cccnc23)C[C@H](C)O1
InChIInChI=1S/C21H29N3O2/c1-16-14-24(15-17(2)26-16)12-4-3-10-22-20(25)13-19-8-5-7-18-9-6-11-23-21(18)19/h5-9,11,16-17H,3-4,10,12-15H2,1-2H3,(H,22,25)/t16-,17+
InChIKeyOCJDUXNOLXZIHB-CALCHBBNSA-N
XLogP2.78
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-quinolin-8-ylacetamide
CID 51942956
(2S,6R)-2-ethyl-6-methyl-N-(quinolin-8-ylmethyl)morpholine-4-carboxamide
CID 97096798
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-pyridin-2-ylurea
CID 51084139
N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-4-carboxamide
CID 51725583
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-hydroxybenzamide
CID 75451905
N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-hydroxybenzamide
CID 97347364
N-[3-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55631634
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-quinolin-8-ylacetamide
CID 71879938
N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]-3-phenylprop-2-ynamide
CID 97039116
2-(cyclohexen-1-yl)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]acetamide
CID 97039150
3-(2-aminophenyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]propanamide;dihydrochloride
CID 120612238
2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide
CID 55629070

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-2-quinolin-8-ylacetamide?
The IUPAC name of N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-2-quinolin-8-ylacetamide (CID 95974785) is N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-2-quinolin-8-ylacetamide.
What is the SMILES notation for N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-2-quinolin-8-ylacetamide?
The canonical SMILES for N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-2-quinolin-8-ylacetamide is C[C@@H]1CN(CCCCNC(=O)Cc2cccc3cccnc23)C[C@H](C)O1.
What is the InChIKey of N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-2-quinolin-8-ylacetamide?
The InChIKey is OCJDUXNOLXZIHB-CALCHBBNSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-16-14-24(15-17(2)26-16)12-4-3-10-22-20(25)13-19-8-5-7-18-9-6-11-23-21(18)19/h5-9,11,16-17H,3-4,10,12-15H2,1-2H3,(H,22,25)/t16-,17+.
What are the key properties of N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-2-quinolin-8-ylacetamide?
N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-2-quinolin-8-ylacetamide has a molecular weight of 355.48 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-2-quinolin-8-ylacetamide is sourced from PubChem (CID 95974785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).