(7S)-7-(morpholin-4-ylmethyl)-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane

C22H29N3O2 — CID 124827811

IUPAC(7S)-7-(morpholin-4-ylmethyl)-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
SMILESc1ccc2nc(CN3CC4(CC[C@@H](CN5CCOCC5)CO4)C3)ccc2c1
InChIInChI=1S/C22H29N3O2/c1-2-4-21-19(3-1)5-6-20(23-21)14-25-16-22(17-25)8-7-18(15-27-22)13-24-9-11-26-12-10-24/h1-6,18H,7-17H2/t18-/m0/s1
InChIKeyVBHHXCFFTVUTSP-SFHVURJKSA-N
MW367.49 g/mol
LogP2.55
Rot. Bonds4

About (7S)-7-(morpholin-4-ylmethyl)-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane

(7S)-7-(morpholin-4-ylmethyl)-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124827811) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is (7S)-7-(morpholin-4-ylmethyl)-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name(7S)-7-(morpholin-4-ylmethyl)-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
PubChem CID124827811
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name(7S)-7-(morpholin-4-ylmethyl)-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
SMILESc1ccc2nc(CN3CC4(CC[C@@H](CN5CCOCC5)CO4)C3)ccc2c1
InChIInChI=1S/C22H29N3O2/c1-2-4-21-19(3-1)5-6-20(23-21)14-25-16-22(17-25)8-7-18(15-27-22)13-24-9-11-26-12-10-24/h1-6,18H,7-17H2/t18-/m0/s1
InChIKeyVBHHXCFFTVUTSP-SFHVURJKSA-N
XLogP2.55
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(7R)-7-(morpholin-4-ylmethyl)-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124827810
(7R)-7-(morpholin-4-ylmethyl)-2-(pyridin-3-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124911975
7-(morpholin-4-ylmethyl)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane;tris(2,2,2-trifluoroacetic acid)
CID 155833159
3-(cyclopropylmethoxy)-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 131639428
(7R)-2-pyrimidin-2-yl-7-(pyrrolidin-1-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124805168
(8S)-8-ethoxy-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124828466
(8R)-8-pyridin-3-yloxy-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124827142
(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-amine
CID 68962287
(3S,5R)-7-[(6-methyl-2-pyridinyl)methyl]-3-(pyrrolidin-1-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecane
CID 98778570
(3S,5S)-7-[(6-methyl-2-pyridinyl)methyl]-3-(pyrrolidin-1-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecane
CID 98778571
(4-chlorophenyl)-[(7S)-7-(morpholin-4-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124800891
1-(quinolin-2-ylmethyl)azetidin-3-amine
CID 63760715

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(morpholin-4-ylmethyl)-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of (7S)-7-(morpholin-4-ylmethyl)-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane (CID 124827811) is (7S)-7-(morpholin-4-ylmethyl)-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for (7S)-7-(morpholin-4-ylmethyl)-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for (7S)-7-(morpholin-4-ylmethyl)-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane is c1ccc2nc(CN3CC4(CC[C@@H](CN5CCOCC5)CO4)C3)ccc2c1.
What is the InChIKey of (7S)-7-(morpholin-4-ylmethyl)-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is VBHHXCFFTVUTSP-SFHVURJKSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-2-4-21-19(3-1)5-6-20(23-21)14-25-16-22(17-25)8-7-18(15-27-22)13-24-9-11-26-12-10-24/h1-6,18H,7-17H2/t18-/m0/s1.
What are the key properties of (7S)-7-(morpholin-4-ylmethyl)-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane?
(7S)-7-(morpholin-4-ylmethyl)-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 367.49 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(morpholin-4-ylmethyl)-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124827811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).