(2S,6R)-2-ethyl-6-methyl-N-(quinolin-8-ylmethyl)morpholine-4-carboxamide

C18H23N3O2 — CID 97096798

IUPAC(2S,6R)-2-ethyl-6-methyl-N-(quinolin-8-ylmethyl)morpholine-4-carboxamide
SMILESCC[C@H]1CN(C(=O)NCc2cccc3cccnc23)C[C@@H](C)O1
InChIInChI=1S/C18H23N3O2/c1-3-16-12-21(11-13(2)23-16)18(22)20-10-15-7-4-6-14-8-5-9-19-17(14)15/h4-9,13,16H,3,10-12H2,1-2H3,(H,20,22)/t13-,16+/m1/s1
InChIKeyGYTANMXIKCBXFD-CJNGLKHVSA-N
MW313.40 g/mol
LogP2.94
Rot. Bonds3

About (2S,6R)-2-ethyl-6-methyl-N-(quinolin-8-ylmethyl)morpholine-4-carboxamide

(2S,6R)-2-ethyl-6-methyl-N-(quinolin-8-ylmethyl)morpholine-4-carboxamide (PubChem CID 97096798) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (2S,6R)-2-ethyl-6-methyl-N-(quinolin-8-ylmethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S,6R)-2-ethyl-6-methyl-N-(quinolin-8-ylmethyl)morpholine-4-carboxamide
PubChem CID97096798
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name(2S,6R)-2-ethyl-6-methyl-N-(quinolin-8-ylmethyl)morpholine-4-carboxamide
SMILESCC[C@H]1CN(C(=O)NCc2cccc3cccnc23)C[C@@H](C)O1
InChIInChI=1S/C18H23N3O2/c1-3-16-12-21(11-13(2)23-16)18(22)20-10-15-7-4-6-14-8-5-9-19-17(14)15/h4-9,13,16H,3,10-12H2,1-2H3,(H,20,22)/t13-,16+/m1/s1
InChIKeyGYTANMXIKCBXFD-CJNGLKHVSA-N
XLogP2.94
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(hydroxymethyl)-N-(quinolin-8-ylmethyl)pyrrolidine-1-carboxamide
CID 111443887
4-N-ethyl-1-N-(quinolin-8-ylmethyl)piperidine-1,4-dicarboxamide
CID 166186194
(2S,6S)-2,6-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide
CID 95176272
N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-2-quinolin-8-ylacetamide
CID 95974785
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-quinolin-8-ylacetamide
CID 51942956
(2R,6S)-2-ethyl-6-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide
CID 95622043
(2S)-2-amino-N-(quinolin-8-ylmethyl)pentanamide
CID 107570250
N-[[2-(methoxymethyl)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide
CID 42958139
(2R,5R)-2,5-dimethyl-4-(quinolin-8-ylmethyl)morpholine
CID 94062962
2,6-dimethyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide
CID 51291268
2-ethyl-N-(4-hydroxy-2-phenylbutyl)-6-methylmorpholine-4-carboxamide
CID 111455922
N',3-dimethyl-N-(quinolin-8-ylmethyl)piperidine-1-carboximidamide
CID 111144050

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2-ethyl-6-methyl-N-(quinolin-8-ylmethyl)morpholine-4-carboxamide?
The IUPAC name of (2S,6R)-2-ethyl-6-methyl-N-(quinolin-8-ylmethyl)morpholine-4-carboxamide (CID 97096798) is (2S,6R)-2-ethyl-6-methyl-N-(quinolin-8-ylmethyl)morpholine-4-carboxamide.
What is the SMILES notation for (2S,6R)-2-ethyl-6-methyl-N-(quinolin-8-ylmethyl)morpholine-4-carboxamide?
The canonical SMILES for (2S,6R)-2-ethyl-6-methyl-N-(quinolin-8-ylmethyl)morpholine-4-carboxamide is CC[C@H]1CN(C(=O)NCc2cccc3cccnc23)C[C@@H](C)O1.
What is the InChIKey of (2S,6R)-2-ethyl-6-methyl-N-(quinolin-8-ylmethyl)morpholine-4-carboxamide?
The InChIKey is GYTANMXIKCBXFD-CJNGLKHVSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-16-12-21(11-13(2)23-16)18(22)20-10-15-7-4-6-14-8-5-9-19-17(14)15/h4-9,13,16H,3,10-12H2,1-2H3,(H,20,22)/t13-,16+/m1/s1.
What are the key properties of (2S,6R)-2-ethyl-6-methyl-N-(quinolin-8-ylmethyl)morpholine-4-carboxamide?
(2S,6R)-2-ethyl-6-methyl-N-(quinolin-8-ylmethyl)morpholine-4-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2-ethyl-6-methyl-N-(quinolin-8-ylmethyl)morpholine-4-carboxamide is sourced from PubChem (CID 97096798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).