N-[(2R,4S,6R)-2-ethyl-6-(2-morpholin-4-ylquinolin-3-yl)oxan-4-yl]acetamide

C22H29N3O3 — CID 133131593

IUPACN-[(2R,4S,6R)-2-ethyl-6-(2-morpholin-4-ylquinolin-3-yl)oxan-4-yl]acetamide
SMILESCC[C@@H]1C[C@H](NC(C)=O)C[C@H](c2cc3ccccc3nc2N2CCOCC2)O1
InChIInChI=1S/C22H29N3O3/c1-3-18-13-17(23-15(2)26)14-21(28-18)19-12-16-6-4-5-7-20(16)24-22(19)25-8-10-27-11-9-25/h4-7,12,17-18,21H,3,8-11,13-14H2,1-2H3,(H,23,26)/t17-,18+,21+/m0/s1
InChIKeySUVYKZKAIMIGNS-WAOWUJCRSA-N
MW383.49 g/mol
LogP3.21
Rot. Bonds4

About N-[(2R,4S,6R)-2-ethyl-6-(2-morpholin-4-ylquinolin-3-yl)oxan-4-yl]acetamide

N-[(2R,4S,6R)-2-ethyl-6-(2-morpholin-4-ylquinolin-3-yl)oxan-4-yl]acetamide (PubChem CID 133131593) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[(2R,4S,6R)-2-ethyl-6-(2-morpholin-4-ylquinolin-3-yl)oxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,4S,6R)-2-ethyl-6-(2-morpholin-4-ylquinolin-3-yl)oxan-4-yl]acetamide
PubChem CID133131593
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-[(2R,4S,6R)-2-ethyl-6-(2-morpholin-4-ylquinolin-3-yl)oxan-4-yl]acetamide
SMILESCC[C@@H]1C[C@H](NC(C)=O)C[C@H](c2cc3ccccc3nc2N2CCOCC2)O1
InChIInChI=1S/C22H29N3O3/c1-3-18-13-17(23-15(2)26)14-21(28-18)19-12-16-6-4-5-7-20(16)24-22(19)25-8-10-27-11-9-25/h4-7,12,17-18,21H,3,8-11,13-14H2,1-2H3,(H,23,26)/t17-,18+,21+/m0/s1
InChIKeySUVYKZKAIMIGNS-WAOWUJCRSA-N
XLogP3.21
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,4S,6R)-2-ethyl-6-(2-morpholin-4-ylquinolin-3-yl)oxan-4-yl]acetamide?
The IUPAC name of N-[(2R,4S,6R)-2-ethyl-6-(2-morpholin-4-ylquinolin-3-yl)oxan-4-yl]acetamide (CID 133131593) is N-[(2R,4S,6R)-2-ethyl-6-(2-morpholin-4-ylquinolin-3-yl)oxan-4-yl]acetamide.
What is the SMILES notation for N-[(2R,4S,6R)-2-ethyl-6-(2-morpholin-4-ylquinolin-3-yl)oxan-4-yl]acetamide?
The canonical SMILES for N-[(2R,4S,6R)-2-ethyl-6-(2-morpholin-4-ylquinolin-3-yl)oxan-4-yl]acetamide is CC[C@@H]1C[C@H](NC(C)=O)C[C@H](c2cc3ccccc3nc2N2CCOCC2)O1.
What is the InChIKey of N-[(2R,4S,6R)-2-ethyl-6-(2-morpholin-4-ylquinolin-3-yl)oxan-4-yl]acetamide?
The InChIKey is SUVYKZKAIMIGNS-WAOWUJCRSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-3-18-13-17(23-15(2)26)14-21(28-18)19-12-16-6-4-5-7-20(16)24-22(19)25-8-10-27-11-9-25/h4-7,12,17-18,21H,3,8-11,13-14H2,1-2H3,(H,23,26)/t17-,18+,21+/m0/s1.
What are the key properties of N-[(2R,4S,6R)-2-ethyl-6-(2-morpholin-4-ylquinolin-3-yl)oxan-4-yl]acetamide?
N-[(2R,4S,6R)-2-ethyl-6-(2-morpholin-4-ylquinolin-3-yl)oxan-4-yl]acetamide has a molecular weight of 383.49 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4S,6R)-2-ethyl-6-(2-morpholin-4-ylquinolin-3-yl)oxan-4-yl]acetamide is sourced from PubChem (CID 133131593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).