(5R)-2-(7-chloroquinolin-4-yl)-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane

C20H26ClN3O — CID 126437170

IUPAC(5R)-2-(7-chloroquinolin-4-yl)-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane
SMILESCOCCN1CCC[C@@]2(CCN(c3ccnc4cc(Cl)ccc34)C2)C1
InChIInChI=1S/C20H26ClN3O/c1-25-12-11-23-9-2-6-20(14-23)7-10-24(15-20)19-5-8-22-18-13-16(21)3-4-17(18)19/h3-5,8,13H,2,6-7,9-12,14-15H2,1H3/t20-/m1/s1
InChIKeyBUOMWCULTTUTCV-HXUWFJFHSA-N
MW359.90 g/mol
LogP3.83
Rot. Bonds4

About (5R)-2-(7-chloroquinolin-4-yl)-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane

(5R)-2-(7-chloroquinolin-4-yl)-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane (PubChem CID 126437170) has the molecular formula C20H26ClN3O and a molecular weight of 359.90 g/mol. Its IUPAC name is (5R)-2-(7-chloroquinolin-4-yl)-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5R)-2-(7-chloroquinolin-4-yl)-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane
PubChem CID126437170
Molecular FormulaC20H26ClN3O
Molecular Weight359.90 g/mol
Exact Mass359.18
IUPAC Name(5R)-2-(7-chloroquinolin-4-yl)-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane
SMILESCOCCN1CCC[C@@]2(CCN(c3ccnc4cc(Cl)ccc34)C2)C1
InChIInChI=1S/C20H26ClN3O/c1-25-12-11-23-9-2-6-20(14-23)7-10-24(15-20)19-5-8-22-18-13-16(21)3-4-17(18)19/h3-5,8,13H,2,6-7,9-12,14-15H2,1H3/t20-/m1/s1
InChIKeyBUOMWCULTTUTCV-HXUWFJFHSA-N
XLogP3.83
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.90
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-(7-chloroquinolin-4-yl)-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane?
The IUPAC name of (5R)-2-(7-chloroquinolin-4-yl)-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane (CID 126437170) is (5R)-2-(7-chloroquinolin-4-yl)-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for (5R)-2-(7-chloroquinolin-4-yl)-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane?
The canonical SMILES for (5R)-2-(7-chloroquinolin-4-yl)-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane is COCCN1CCC[C@@]2(CCN(c3ccnc4cc(Cl)ccc34)C2)C1.
What is the InChIKey of (5R)-2-(7-chloroquinolin-4-yl)-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane?
The InChIKey is BUOMWCULTTUTCV-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H26ClN3O/c1-25-12-11-23-9-2-6-20(14-23)7-10-24(15-20)19-5-8-22-18-13-16(21)3-4-17(18)19/h3-5,8,13H,2,6-7,9-12,14-15H2,1H3/t20-/m1/s1.
What are the key properties of (5R)-2-(7-chloroquinolin-4-yl)-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane?
(5R)-2-(7-chloroquinolin-4-yl)-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane has a molecular weight of 359.90 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(7-chloroquinolin-4-yl)-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 126437170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).