4-(2-methylquinolin-4-yl)-1,9-dioxa-4-azaspiro[5.5]undecane

C18H22N2O2 — CID 133378282

IUPAC4-(2-methylquinolin-4-yl)-1,9-dioxa-4-azaspiro[5.5]undecane
SMILESCc1cc(N2CCOC3(CCOCC3)C2)c2ccccc2n1
InChIInChI=1S/C18H22N2O2/c1-14-12-17(15-4-2-3-5-16(15)19-14)20-8-11-22-18(13-20)6-9-21-10-7-18/h2-5,12H,6-11,13H2,1H3
InChIKeyIYPDWMVZRJOHTE-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.93
Rot. Bonds1

About 4-(2-methylquinolin-4-yl)-1,9-dioxa-4-azaspiro[5.5]undecane

4-(2-methylquinolin-4-yl)-1,9-dioxa-4-azaspiro[5.5]undecane (PubChem CID 133378282) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-(2-methylquinolin-4-yl)-1,9-dioxa-4-azaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(2-methylquinolin-4-yl)-1,9-dioxa-4-azaspiro[5.5]undecane
PubChem CID133378282
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name4-(2-methylquinolin-4-yl)-1,9-dioxa-4-azaspiro[5.5]undecane
SMILESCc1cc(N2CCOC3(CCOCC3)C2)c2ccccc2n1
InChIInChI=1S/C18H22N2O2/c1-14-12-17(15-4-2-3-5-16(15)19-14)20-8-11-22-18(13-20)6-9-21-10-7-18/h2-5,12H,6-11,13H2,1H3
InChIKeyIYPDWMVZRJOHTE-UHFFFAOYSA-N
XLogP2.93
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methyl-6-nitroquinolin-4-yl)-1,9-dioxa-4-azaspiro[5.5]undecane
CID 75502395
9-(8-fluoro-2-methylquinolin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane
CID 133479209
(5R)-3-methyl-9-(2-methylquinolin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95876805
N,4-dimethyl-1-(2-methylquinolin-4-yl)piperidin-4-amine
CID 115305596
9-(3-methylquinoxalin-2-yl)-2,6-dioxa-9-azaspiro[4.5]decane
CID 133493903
4-[2-(chloromethyl)quinolin-4-yl]-2,2-dimethylmorpholine
CID 63375123
2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 17040066
4-(2-methyl-2-phenylmorpholin-4-yl)quinoline-2-carbonitrile
CID 133379557
(5R)-7-methyl-2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97210264
(2S)-4-(2-methylquinolin-4-yl)-2-(trifluoromethyl)morpholine
CID 95556392
7-(2-propylquinolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane
CID 133412371
9-(2-thiophen-3-ylquinazolin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane
CID 133479287

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylquinolin-4-yl)-1,9-dioxa-4-azaspiro[5.5]undecane?
The IUPAC name of 4-(2-methylquinolin-4-yl)-1,9-dioxa-4-azaspiro[5.5]undecane (CID 133378282) is 4-(2-methylquinolin-4-yl)-1,9-dioxa-4-azaspiro[5.5]undecane.
What is the SMILES notation for 4-(2-methylquinolin-4-yl)-1,9-dioxa-4-azaspiro[5.5]undecane?
The canonical SMILES for 4-(2-methylquinolin-4-yl)-1,9-dioxa-4-azaspiro[5.5]undecane is Cc1cc(N2CCOC3(CCOCC3)C2)c2ccccc2n1.
What is the InChIKey of 4-(2-methylquinolin-4-yl)-1,9-dioxa-4-azaspiro[5.5]undecane?
The InChIKey is IYPDWMVZRJOHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14-12-17(15-4-2-3-5-16(15)19-14)20-8-11-22-18(13-20)6-9-21-10-7-18/h2-5,12H,6-11,13H2,1H3.
What are the key properties of 4-(2-methylquinolin-4-yl)-1,9-dioxa-4-azaspiro[5.5]undecane?
4-(2-methylquinolin-4-yl)-1,9-dioxa-4-azaspiro[5.5]undecane has a molecular weight of 298.39 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylquinolin-4-yl)-1,9-dioxa-4-azaspiro[5.5]undecane is sourced from PubChem (CID 133378282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).