(6S)-6-[[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxymethyl]-5-oxa-8-azaspiro[3.5]nonane

C21H24N4O2 — CID 176863329

IUPAC(6S)-6-[[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxymethyl]-5-oxa-8-azaspiro[3.5]nonane
SMILESCn1cc(-c2cc(OC[C@@H]3CNCC4(CCC4)O3)c3cccnc3c2)cn1
InChIInChI=1S/C21H24N4O2/c1-25-12-16(10-24-25)15-8-19-18(4-2-7-23-19)20(9-15)26-13-17-11-22-14-21(27-17)5-3-6-21/h2,4,7-10,12,17,22H,3,5-6,11,13-14H2,1H3/t17-/m0/s1
InChIKeyXIUFBZQSXZIAAU-KRWDZBQOSA-N
MW364.45 g/mol
LogP2.93
Rot. Bonds4

About (6S)-6-[[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxymethyl]-5-oxa-8-azaspiro[3.5]nonane

(6S)-6-[[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxymethyl]-5-oxa-8-azaspiro[3.5]nonane (PubChem CID 176863329) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is (6S)-6-[[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxymethyl]-5-oxa-8-azaspiro[3.5]nonane.

Molecular Properties

Compound Name(6S)-6-[[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxymethyl]-5-oxa-8-azaspiro[3.5]nonane
PubChem CID176863329
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name(6S)-6-[[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxymethyl]-5-oxa-8-azaspiro[3.5]nonane
SMILESCn1cc(-c2cc(OC[C@@H]3CNCC4(CCC4)O3)c3cccnc3c2)cn1
InChIInChI=1S/C21H24N4O2/c1-25-12-16(10-24-25)15-8-19-18(4-2-7-23-19)20(9-15)26-13-17-11-22-14-21(27-17)5-3-6-21/h2,4,7-10,12,17,22H,3,5-6,11,13-14H2,1H3/t17-/m0/s1
InChIKeyXIUFBZQSXZIAAU-KRWDZBQOSA-N
XLogP2.93
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(6S)-6-[[7-(1-ethylpyrrol-3-yl)quinolin-5-yl]oxymethyl]-2,2-dimethylmorpholine
CID 176863465
4-[[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one
CID 144516403
4-[(1R)-1-[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 122512500
2,2-dimethyl-6-[[4-methyl-7-(1-propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxymethyl]morpholine
CID 176863384
(2S,4aR,7aS)-2-[[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]oxymethyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine
CID 176863650
(5R)-5-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one
CID 71241898
tert-butyl (6S)-6-[(7-bromoquinolin-5-yl)oxymethyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxylate
CID 176863432
(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-cyclobutylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine
CID 176863525
(2S,6S)-2-tert-butyl-6-[[7-(1-tert-butylpyrazol-4-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine
CID 176863457
(2S)-2-[[7-(1-propan-2-ylpyrazol-4-yl)-1,6-naphthyridin-5-yl]oxymethyl]-1,4-oxazepane
CID 176863660
(2S,6R)-2-[[7-(1-tert-butylpyrazol-4-yl)-1,6-naphthyridin-5-yl]oxymethyl]-6-(difluoromethyl)morpholine
CID 176863436

Frequently Asked Questions

What is the IUPAC name of (6S)-6-[[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxymethyl]-5-oxa-8-azaspiro[3.5]nonane?
The IUPAC name of (6S)-6-[[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxymethyl]-5-oxa-8-azaspiro[3.5]nonane (CID 176863329) is (6S)-6-[[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxymethyl]-5-oxa-8-azaspiro[3.5]nonane.
What is the SMILES notation for (6S)-6-[[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxymethyl]-5-oxa-8-azaspiro[3.5]nonane?
The canonical SMILES for (6S)-6-[[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxymethyl]-5-oxa-8-azaspiro[3.5]nonane is Cn1cc(-c2cc(OC[C@@H]3CNCC4(CCC4)O3)c3cccnc3c2)cn1.
What is the InChIKey of (6S)-6-[[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxymethyl]-5-oxa-8-azaspiro[3.5]nonane?
The InChIKey is XIUFBZQSXZIAAU-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-25-12-16(10-24-25)15-8-19-18(4-2-7-23-19)20(9-15)26-13-17-11-22-14-21(27-17)5-3-6-21/h2,4,7-10,12,17,22H,3,5-6,11,13-14H2,1H3/t17-/m0/s1.
What are the key properties of (6S)-6-[[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxymethyl]-5-oxa-8-azaspiro[3.5]nonane?
(6S)-6-[[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxymethyl]-5-oxa-8-azaspiro[3.5]nonane has a molecular weight of 364.45 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxymethyl]-5-oxa-8-azaspiro[3.5]nonane is sourced from PubChem (CID 176863329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).