(6S)-6-[[7-(1-ethylpyrrol-3-yl)quinolin-5-yl]oxymethyl]-2,2-dimethylmorpholine

C22H27N3O2 — CID 176863465

IUPAC(6S)-6-[[7-(1-ethylpyrrol-3-yl)quinolin-5-yl]oxymethyl]-2,2-dimethylmorpholine
SMILESCCn1ccc(-c2cc(OC[C@@H]3CNCC(C)(C)O3)c3cccnc3c2)c1
InChIInChI=1S/C22H27N3O2/c1-4-25-9-7-16(13-25)17-10-20-19(6-5-8-24-20)21(11-17)26-14-18-12-23-15-22(2,3)27-18/h5-11,13,18,23H,4,12,14-15H2,1-3H3/t18-/m0/s1
InChIKeyWLROERJSEWFNPT-SFHVURJKSA-N
MW365.48 g/mol
LogP3.87
Rot. Bonds5

About (6S)-6-[[7-(1-ethylpyrrol-3-yl)quinolin-5-yl]oxymethyl]-2,2-dimethylmorpholine

(6S)-6-[[7-(1-ethylpyrrol-3-yl)quinolin-5-yl]oxymethyl]-2,2-dimethylmorpholine (PubChem CID 176863465) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (6S)-6-[[7-(1-ethylpyrrol-3-yl)quinolin-5-yl]oxymethyl]-2,2-dimethylmorpholine.

Molecular Properties

Compound Name(6S)-6-[[7-(1-ethylpyrrol-3-yl)quinolin-5-yl]oxymethyl]-2,2-dimethylmorpholine
PubChem CID176863465
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name(6S)-6-[[7-(1-ethylpyrrol-3-yl)quinolin-5-yl]oxymethyl]-2,2-dimethylmorpholine
SMILESCCn1ccc(-c2cc(OC[C@@H]3CNCC(C)(C)O3)c3cccnc3c2)c1
InChIInChI=1S/C22H27N3O2/c1-4-25-9-7-16(13-25)17-10-20-19(6-5-8-24-20)21(11-17)26-14-18-12-23-15-22(2,3)27-18/h5-11,13,18,23H,4,12,14-15H2,1-3H3/t18-/m0/s1
InChIKeyWLROERJSEWFNPT-SFHVURJKSA-N
XLogP3.87
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6S)-6-[[7-(1-ethylpyrrol-3-yl)quinolin-5-yl]oxymethyl]-2,2-dimethylmorpholine with MolForge

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Related Compounds

(6S)-6-[[7-[1-(2,2-difluoroethyl)pyrrol-3-yl]-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine
CID 176863402
(6S)-6-[[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxymethyl]-5-oxa-8-azaspiro[3.5]nonane
CID 176863329
(6S)-6-[[7-(1-cyclobutylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine
CID 176863525
2,2-dimethyl-6-[[4-methyl-7-(1-propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxymethyl]morpholine
CID 176863384
(5R)-5-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one
CID 71241898
2,2-dimethyl-6-[(1-methylimidazol-2-yl)oxymethyl]morpholine
CID 114775834
3-[(6,6-dimethylmorpholin-2-yl)methoxy]-1-ethylpyrazin-2-one
CID 114775957
2,2-dimethyl-6-[(2-nitrophenoxy)methyl]morpholine
CID 114775829
6-[(2-methoxy-3-pyridinyl)methoxymethyl]-2,2-dimethylmorpholine
CID 114775440
4-[(6,6-dimethylmorpholin-2-yl)methoxy]benzonitrile
CID 114775943
2,2-dimethyl-6-[(4-methylpyrimidin-2-yl)oxymethyl]morpholine
CID 114775795
4-[[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one
CID 144516403

Frequently Asked Questions

What is the IUPAC name of (6S)-6-[[7-(1-ethylpyrrol-3-yl)quinolin-5-yl]oxymethyl]-2,2-dimethylmorpholine?
The IUPAC name of (6S)-6-[[7-(1-ethylpyrrol-3-yl)quinolin-5-yl]oxymethyl]-2,2-dimethylmorpholine (CID 176863465) is (6S)-6-[[7-(1-ethylpyrrol-3-yl)quinolin-5-yl]oxymethyl]-2,2-dimethylmorpholine.
What is the SMILES notation for (6S)-6-[[7-(1-ethylpyrrol-3-yl)quinolin-5-yl]oxymethyl]-2,2-dimethylmorpholine?
The canonical SMILES for (6S)-6-[[7-(1-ethylpyrrol-3-yl)quinolin-5-yl]oxymethyl]-2,2-dimethylmorpholine is CCn1ccc(-c2cc(OC[C@@H]3CNCC(C)(C)O3)c3cccnc3c2)c1.
What is the InChIKey of (6S)-6-[[7-(1-ethylpyrrol-3-yl)quinolin-5-yl]oxymethyl]-2,2-dimethylmorpholine?
The InChIKey is WLROERJSEWFNPT-SFHVURJKSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-4-25-9-7-16(13-25)17-10-20-19(6-5-8-24-20)21(11-17)26-14-18-12-23-15-22(2,3)27-18/h5-11,13,18,23H,4,12,14-15H2,1-3H3/t18-/m0/s1.
What are the key properties of (6S)-6-[[7-(1-ethylpyrrol-3-yl)quinolin-5-yl]oxymethyl]-2,2-dimethylmorpholine?
(6S)-6-[[7-(1-ethylpyrrol-3-yl)quinolin-5-yl]oxymethyl]-2,2-dimethylmorpholine has a molecular weight of 365.48 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[[7-(1-ethylpyrrol-3-yl)quinolin-5-yl]oxymethyl]-2,2-dimethylmorpholine is sourced from PubChem (CID 176863465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).