3-[(6-ethoxyquinolin-2-yl)methyl]-3,9-diazabicyclo[3.3.2]decan-10-one

C20H25N3O2 — CID 156609769

IUPAC3-[(6-ethoxyquinolin-2-yl)methyl]-3,9-diazabicyclo[3.3.2]decan-10-one
SMILESCCOc1ccc2nc(CN3CC4CCCC(C3)C(=O)N4)ccc2c1
InChIInChI=1S/C20H25N3O2/c1-2-25-18-8-9-19-14(10-18)6-7-17(21-19)13-23-11-15-4-3-5-16(12-23)22-20(15)24/h6-10,15-16H,2-5,11-13H2,1H3,(H,22,24)
InChIKeyMRMLGMLWFSNRTL-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.73
Rot. Bonds4

About 3-[(6-ethoxyquinolin-2-yl)methyl]-3,9-diazabicyclo[3.3.2]decan-10-one

3-[(6-ethoxyquinolin-2-yl)methyl]-3,9-diazabicyclo[3.3.2]decan-10-one (PubChem CID 156609769) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-[(6-ethoxyquinolin-2-yl)methyl]-3,9-diazabicyclo[3.3.2]decan-10-one.

Molecular Properties

Compound Name3-[(6-ethoxyquinolin-2-yl)methyl]-3,9-diazabicyclo[3.3.2]decan-10-one
PubChem CID156609769
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name3-[(6-ethoxyquinolin-2-yl)methyl]-3,9-diazabicyclo[3.3.2]decan-10-one
SMILESCCOc1ccc2nc(CN3CC4CCCC(C3)C(=O)N4)ccc2c1
InChIInChI=1S/C20H25N3O2/c1-2-25-18-8-9-19-14(10-18)6-7-17(21-19)13-23-11-15-4-3-5-16(12-23)22-20(15)24/h6-10,15-16H,2-5,11-13H2,1H3,(H,22,24)
InChIKeyMRMLGMLWFSNRTL-UHFFFAOYSA-N
XLogP2.73
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[(6-ethoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole
CID 74238102
(1S,5R,6S)-3-[(6-ethoxyquinolin-2-yl)methyl]-3-azabicyclo[3.2.0]heptan-6-ol
CID 137340638
[4-[[1-[(6-ethoxyquinolin-2-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol
CID 72895024
9-[(6-ethoxyquinolin-2-yl)methyl]-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one
CID 56749582
(2R)-1-[(6-ethoxyquinolin-2-yl)methyl]-2-methyl-1,4-diazepan-5-one
CID 99931678
8-[(6-ethoxyquinolin-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol
CID 74248539
ethyl 1-[[6-(4-phenylcyclohexyl)oxyquinolin-2-yl]methyl]piperidine-4-carboxylate;1-[[6-(4-phenylcyclohexyl)oxyquinolin-2-yl]methyl]piperidine-4-carboxylic acid
CID 160684392
5-[(6-ethoxyquinolin-2-yl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 77094255
[1-[[6-(4-tert-butylcyclohexyl)oxyquinolin-2-yl]methyl]piperidin-4-yl] hydrogen carbonate
CID 122471506
ethyl 1-[[6-[4-(trifluoromethyl)cyclohexyl]oxyquinolin-2-yl]methyl]piperidine-4-carboxylate;1-[[6-[4-(trifluoromethyl)cyclohexyl]oxyquinolin-2-yl]methyl]piperidine-4-carboxylic acid
CID 158808959
N-(2,4-dimethoxyphenyl)-3-[(1S,5R)-10-oxo-3,9-diazabicyclo[3.3.2]decan-3-yl]propanamide
CID 91832617
6-chloro-2-[[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]quinoline
CID 74247744

Frequently Asked Questions

What is the IUPAC name of 3-[(6-ethoxyquinolin-2-yl)methyl]-3,9-diazabicyclo[3.3.2]decan-10-one?
The IUPAC name of 3-[(6-ethoxyquinolin-2-yl)methyl]-3,9-diazabicyclo[3.3.2]decan-10-one (CID 156609769) is 3-[(6-ethoxyquinolin-2-yl)methyl]-3,9-diazabicyclo[3.3.2]decan-10-one.
What is the SMILES notation for 3-[(6-ethoxyquinolin-2-yl)methyl]-3,9-diazabicyclo[3.3.2]decan-10-one?
The canonical SMILES for 3-[(6-ethoxyquinolin-2-yl)methyl]-3,9-diazabicyclo[3.3.2]decan-10-one is CCOc1ccc2nc(CN3CC4CCCC(C3)C(=O)N4)ccc2c1.
What is the InChIKey of 3-[(6-ethoxyquinolin-2-yl)methyl]-3,9-diazabicyclo[3.3.2]decan-10-one?
The InChIKey is MRMLGMLWFSNRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-2-25-18-8-9-19-14(10-18)6-7-17(21-19)13-23-11-15-4-3-5-16(12-23)22-20(15)24/h6-10,15-16H,2-5,11-13H2,1H3,(H,22,24).
What are the key properties of 3-[(6-ethoxyquinolin-2-yl)methyl]-3,9-diazabicyclo[3.3.2]decan-10-one?
3-[(6-ethoxyquinolin-2-yl)methyl]-3,9-diazabicyclo[3.3.2]decan-10-one has a molecular weight of 339.44 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-ethoxyquinolin-2-yl)methyl]-3,9-diazabicyclo[3.3.2]decan-10-one is sourced from PubChem (CID 156609769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).