[(7S)-7-[(dimethylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-quinolin-6-ylmethanone

C20H25N3O2 — CID 124815737

IUPAC[(7S)-7-[(dimethylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-quinolin-6-ylmethanone
SMILESCN(C)C[C@@H]1CCC2(CN(C(=O)c3ccc4ncccc4c3)C2)OC1
InChIInChI=1S/C20H25N3O2/c1-22(2)11-15-7-8-20(25-12-15)13-23(14-20)19(24)17-5-6-18-16(10-17)4-3-9-21-18/h3-6,9-10,15H,7-8,11-14H2,1-2H3/t15-/m0/s1
InChIKeyJCQSBLIPWDYEJC-HNNXBMFYSA-N
MW339.44 g/mol
LogP2.42
Rot. Bonds3

About [(7S)-7-[(dimethylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-quinolin-6-ylmethanone

[(7S)-7-[(dimethylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-quinolin-6-ylmethanone (PubChem CID 124815737) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is [(7S)-7-[(dimethylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-quinolin-6-ylmethanone.

Molecular Properties

Compound Name[(7S)-7-[(dimethylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-quinolin-6-ylmethanone
PubChem CID124815737
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name[(7S)-7-[(dimethylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-quinolin-6-ylmethanone
SMILESCN(C)C[C@@H]1CCC2(CN(C(=O)c3ccc4ncccc4c3)C2)OC1
InChIInChI=1S/C20H25N3O2/c1-22(2)11-15-7-8-20(25-12-15)13-23(14-20)19(24)17-5-6-18-16(10-17)4-3-9-21-18/h3-6,9-10,15H,7-8,11-14H2,1-2H3/t15-/m0/s1
InChIKeyJCQSBLIPWDYEJC-HNNXBMFYSA-N
XLogP2.42
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(7S)-7-[(dimethylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-quinolin-6-ylmethanone with MolForge

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Related Compounds

(3-propan-2-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-quinolin-6-ylmethanone
CID 134073962
[(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-6-ylmethanone
CID 97419649
[(3S)-3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-quinolin-6-ylmethanone
CID 129478573
[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-quinolin-6-ylmethanone
CID 128990864
[7-(diethylaminomethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxyphenyl)methanone;2,2,2-trifluoroacetic acid
CID 155860903
[4-(cyclopropylmethylamino)piperidin-1-yl]-quinolin-6-ylmethanone
CID 119624681
[4-(1-bromoethyl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 106839347
1-[7-[(dimethylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-(2-fluorophenyl)ethanone
CID 131648399
[(3R,6S)-3-(dimethylamino)-6-(hydroxymethyl)azepan-1-yl]-quinolin-6-ylmethanone
CID 169410901
[(3R)-3-aminopyrrolidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119412655
1-[(7R)-7-[(dimethylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-(4-methylphenyl)ethanone
CID 124816450
[(3R,5S)-3-ethoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-6-ylmethanone;2,2,2-trifluoroacetic acid
CID 155840880

Frequently Asked Questions

What is the IUPAC name of [(7S)-7-[(dimethylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-quinolin-6-ylmethanone?
The IUPAC name of [(7S)-7-[(dimethylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-quinolin-6-ylmethanone (CID 124815737) is [(7S)-7-[(dimethylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-quinolin-6-ylmethanone.
What is the SMILES notation for [(7S)-7-[(dimethylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-quinolin-6-ylmethanone?
The canonical SMILES for [(7S)-7-[(dimethylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-quinolin-6-ylmethanone is CN(C)C[C@@H]1CCC2(CN(C(=O)c3ccc4ncccc4c3)C2)OC1.
What is the InChIKey of [(7S)-7-[(dimethylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-quinolin-6-ylmethanone?
The InChIKey is JCQSBLIPWDYEJC-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-22(2)11-15-7-8-20(25-12-15)13-23(14-20)19(24)17-5-6-18-16(10-17)4-3-9-21-18/h3-6,9-10,15H,7-8,11-14H2,1-2H3/t15-/m0/s1.
What are the key properties of [(7S)-7-[(dimethylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-quinolin-6-ylmethanone?
[(7S)-7-[(dimethylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-quinolin-6-ylmethanone has a molecular weight of 339.44 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(7S)-7-[(dimethylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-quinolin-6-ylmethanone is sourced from PubChem (CID 124815737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).