4-(6-chloroquinolin-4-yl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one

C20H25ClN4O — CID 72911744

IUPAC4-(6-chloroquinolin-4-yl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCC2(CCC1=O)CN(c1ccnc3ccc(Cl)cc13)CCN2C
InChIInChI=1S/C20H25ClN4O/c1-23-10-8-20(7-5-19(23)26)14-25(12-11-24(20)2)18-6-9-22-17-4-3-15(21)13-16(17)18/h3-4,6,9,13H,5,7-8,10-12,14H2,1-2H3
InChIKeyPNZSWOQYOSARHY-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.02
Rot. Bonds1

About 4-(6-chloroquinolin-4-yl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one

4-(6-chloroquinolin-4-yl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 72911744) has the molecular formula C20H25ClN4O and a molecular weight of 372.90 g/mol. Its IUPAC name is 4-(6-chloroquinolin-4-yl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name4-(6-chloroquinolin-4-yl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID72911744
Molecular FormulaC20H25ClN4O
Molecular Weight372.90 g/mol
Exact Mass372.17
IUPAC Name4-(6-chloroquinolin-4-yl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCC2(CCC1=O)CN(c1ccnc3ccc(Cl)cc13)CCN2C
InChIInChI=1S/C20H25ClN4O/c1-23-10-8-20(7-5-19(23)26)14-25(12-11-24(20)2)18-6-9-22-17-4-3-15(21)13-16(17)18/h3-4,6,9,13H,5,7-8,10-12,14H2,1-2H3
InChIKeyPNZSWOQYOSARHY-UHFFFAOYSA-N
XLogP3.02
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(6-chloroquinolin-4-yl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one with MolForge

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Related Compounds

4-(azepan-1-yl)-6-chloroquinoline
CID 110434360
4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72901046
6-chloro-4-(4-propyl-1,4-diazepan-1-yl)quinoline
CID 133342671
1'-(6-chloroquinolin-4-yl)-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 163315465
4-(4-benzylpiperazin-1-yl)-6-chloroquinoline
CID 43840532
1-(6-chloroquinolin-4-yl)piperidine-4-carboxylic acid
CID 71563708
1,10-dimethyl-4-(quinoxaline-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72941343
4-(5-chloropyridine-3-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72890290
methyl 2-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]acetate
CID 133333942
1-methyl-10-prop-2-enyl-4-(quinolin-4-ylmethyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70715822
(6R)-4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 100904569
(6S)-4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97128030

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloroquinolin-4-yl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of 4-(6-chloroquinolin-4-yl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 72911744) is 4-(6-chloroquinolin-4-yl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 4-(6-chloroquinolin-4-yl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 4-(6-chloroquinolin-4-yl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one is CN1CCC2(CCC1=O)CN(c1ccnc3ccc(Cl)cc13)CCN2C.
What is the InChIKey of 4-(6-chloroquinolin-4-yl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is PNZSWOQYOSARHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O/c1-23-10-8-20(7-5-19(23)26)14-25(12-11-24(20)2)18-6-9-22-17-4-3-15(21)13-16(17)18/h3-4,6,9,13H,5,7-8,10-12,14H2,1-2H3.
What are the key properties of 4-(6-chloroquinolin-4-yl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
4-(6-chloroquinolin-4-yl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 372.90 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloroquinolin-4-yl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 72911744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).