8-(6-chloroquinolin-2-yl)-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one

C21H24ClN3O — CID 70711030

IUPAC8-(6-chloroquinolin-2-yl)-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCCN(c3ccc4cc(Cl)ccc4n3)C2)CN1C1CC1
InChIInChI=1S/C21H24ClN3O/c22-16-3-6-18-15(12-16)2-7-19(23-18)24-11-1-9-21(13-24)10-8-20(26)25(14-21)17-4-5-17/h2-3,6-7,12,17H,1,4-5,8-11,13-14H2
InChIKeyLYCDPEUVZOEUIU-UHFFFAOYSA-N
MW369.90 g/mol
LogP4.26
Rot. Bonds2

About 8-(6-chloroquinolin-2-yl)-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one

8-(6-chloroquinolin-2-yl)-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70711030) has the molecular formula C21H24ClN3O and a molecular weight of 369.90 g/mol. Its IUPAC name is 8-(6-chloroquinolin-2-yl)-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name8-(6-chloroquinolin-2-yl)-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70711030
Molecular FormulaC21H24ClN3O
Molecular Weight369.90 g/mol
Exact Mass369.16
IUPAC Name8-(6-chloroquinolin-2-yl)-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCCN(c3ccc4cc(Cl)ccc4n3)C2)CN1C1CC1
InChIInChI=1S/C21H24ClN3O/c22-16-3-6-18-15(12-16)2-7-19(23-18)24-11-1-9-21(13-24)10-8-20(26)25(14-21)17-4-5-17/h2-3,6-7,12,17H,1,4-5,8-11,13-14H2
InChIKeyLYCDPEUVZOEUIU-UHFFFAOYSA-N
XLogP4.26
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-(6-chloroquinolin-2-yl)-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one with MolForge

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Related Compounds

2-cyclopropyl-8-(7-fluoro-4-methylquinolin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70775884
6-chloro-2-(3,3-difluoropyrrolidin-1-yl)quinoline
CID 163351362
2-(5-azaspiro[2.5]octan-5-yl)quinoline-6-carbonitrile
CID 133480851
2-(2-cyclopentyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)pyridine-3-carboxylic acid
CID 70761968
2-cyclopentyl-8-[4-(ethylamino)pyrimidin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70715700
2-cyclopropyl-8-[(3-hydroxyphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70749704
[7-(6-chloroquinolin-2-yl)-7-azaspiro[3.5]nonan-2-yl]methylcarbamic acid
CID 68761021
N-(6-chloro-3-pyridinyl)-2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide
CID 70736483
N-[1-(6-chloroquinolin-2-yl)piperidin-3-yl]cyclopropanesulfonamide
CID 155942655
8-(5-chloro-2-pyridinyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70725420
2-cyclopropyl-8-[(3-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70706816
(6R)-2-cyclopropyl-N-(2,4-difluorophenyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide
CID 97122233

Frequently Asked Questions

What is the IUPAC name of 8-(6-chloroquinolin-2-yl)-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 8-(6-chloroquinolin-2-yl)-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one (CID 70711030) is 8-(6-chloroquinolin-2-yl)-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 8-(6-chloroquinolin-2-yl)-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 8-(6-chloroquinolin-2-yl)-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCCN(c3ccc4cc(Cl)ccc4n3)C2)CN1C1CC1.
What is the InChIKey of 8-(6-chloroquinolin-2-yl)-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is LYCDPEUVZOEUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O/c22-16-3-6-18-15(12-16)2-7-19(23-18)24-11-1-9-21(13-24)10-8-20(26)25(14-21)17-4-5-17/h2-3,6-7,12,17H,1,4-5,8-11,13-14H2.
What are the key properties of 8-(6-chloroquinolin-2-yl)-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one?
8-(6-chloroquinolin-2-yl)-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 369.90 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-chloroquinolin-2-yl)-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70711030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).