(1S,5R)-9-methyl-7-(2-methylquinolin-4-yl)-3-oxa-7,9-diazabicyclo[3.3.2]decane

C18H23N3O — CID 155916368

IUPAC(1S,5R)-9-methyl-7-(2-methylquinolin-4-yl)-3-oxa-7,9-diazabicyclo[3.3.2]decane
SMILESCc1cc(N2C[C@@H]3COC[C@H](C2)N(C)C3)c2ccccc2n1
InChIInChI=1S/C18H23N3O/c1-13-7-18(16-5-3-4-6-17(16)19-13)21-9-14-8-20(2)15(10-21)12-22-11-14/h3-7,14-15H,8-12H2,1-2H3/t14-,15+/m1/s1
InChIKeyDJSJRWSCJBBTDZ-CABCVRRESA-N
MW297.40 g/mol
LogP2.31
Rot. Bonds1

About (1S,5R)-9-methyl-7-(2-methylquinolin-4-yl)-3-oxa-7,9-diazabicyclo[3.3.2]decane

(1S,5R)-9-methyl-7-(2-methylquinolin-4-yl)-3-oxa-7,9-diazabicyclo[3.3.2]decane (PubChem CID 155916368) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is (1S,5R)-9-methyl-7-(2-methylquinolin-4-yl)-3-oxa-7,9-diazabicyclo[3.3.2]decane.

Molecular Properties

Compound Name(1S,5R)-9-methyl-7-(2-methylquinolin-4-yl)-3-oxa-7,9-diazabicyclo[3.3.2]decane
PubChem CID155916368
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name(1S,5R)-9-methyl-7-(2-methylquinolin-4-yl)-3-oxa-7,9-diazabicyclo[3.3.2]decane
SMILESCc1cc(N2C[C@@H]3COC[C@H](C2)N(C)C3)c2ccccc2n1
InChIInChI=1S/C18H23N3O/c1-13-7-18(16-5-3-4-6-17(16)19-13)21-9-14-8-20(2)15(10-21)12-22-11-14/h3-7,14-15H,8-12H2,1-2H3/t14-,15+/m1/s1
InChIKeyDJSJRWSCJBBTDZ-CABCVRRESA-N
XLogP2.31
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1S,5R)-9-methyl-7-(2-methylquinolin-4-yl)-3-oxa-7,9-diazabicyclo[3.3.2]decane with MolForge

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Related Compounds

4-methyl-2-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]quinoline-3-carbonitrile
CID 155913465
(1S,5R)-7-(6-fluoro-4-methylquinolin-2-yl)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane
CID 135114226
(1S,5R)-9-methyl-7-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3-oxa-7,9-diazabicyclo[3.3.2]decane
CID 135112460
4-methyl-1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylic acid
CID 63721046
(2-cyclopropylquinolin-4-yl)-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone
CID 135095200
4-(3-bromo-4-methylpiperidin-1-yl)-2-methylquinoline
CID 102961080
(1S,5R)-9-methyl-7-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-oxa-7,9-diazabicyclo[3.3.2]decane
CID 135116474
5-methyl-1-(2-methylquinolin-4-yl)piperidine-3-carboxylic acid
CID 122106797
2-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]pyrimidin-4-amine
CID 135116061
2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 17040066
(1S,5R)-7-(6-chloro-1,3-benzothiazol-2-yl)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane
CID 155915384
4-(2-methylquinolin-4-yl)-1,9-dioxa-4-azaspiro[5.5]undecane
CID 133378282

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-9-methyl-7-(2-methylquinolin-4-yl)-3-oxa-7,9-diazabicyclo[3.3.2]decane?
The IUPAC name of (1S,5R)-9-methyl-7-(2-methylquinolin-4-yl)-3-oxa-7,9-diazabicyclo[3.3.2]decane (CID 155916368) is (1S,5R)-9-methyl-7-(2-methylquinolin-4-yl)-3-oxa-7,9-diazabicyclo[3.3.2]decane.
What is the SMILES notation for (1S,5R)-9-methyl-7-(2-methylquinolin-4-yl)-3-oxa-7,9-diazabicyclo[3.3.2]decane?
The canonical SMILES for (1S,5R)-9-methyl-7-(2-methylquinolin-4-yl)-3-oxa-7,9-diazabicyclo[3.3.2]decane is Cc1cc(N2C[C@@H]3COC[C@H](C2)N(C)C3)c2ccccc2n1.
What is the InChIKey of (1S,5R)-9-methyl-7-(2-methylquinolin-4-yl)-3-oxa-7,9-diazabicyclo[3.3.2]decane?
The InChIKey is DJSJRWSCJBBTDZ-CABCVRRESA-N. The full InChI is InChI=1S/C18H23N3O/c1-13-7-18(16-5-3-4-6-17(16)19-13)21-9-14-8-20(2)15(10-21)12-22-11-14/h3-7,14-15H,8-12H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of (1S,5R)-9-methyl-7-(2-methylquinolin-4-yl)-3-oxa-7,9-diazabicyclo[3.3.2]decane?
(1S,5R)-9-methyl-7-(2-methylquinolin-4-yl)-3-oxa-7,9-diazabicyclo[3.3.2]decane has a molecular weight of 297.40 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-9-methyl-7-(2-methylquinolin-4-yl)-3-oxa-7,9-diazabicyclo[3.3.2]decane is sourced from PubChem (CID 155916368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).