2-ethyl-7-[(6-methoxyquinolin-4-yl)methyl]-6-azatricyclo[4.2.0.01,3]octane

C20H24N2O — CID 91295232

IUPAC2-ethyl-7-[(6-methoxyquinolin-4-yl)methyl]-6-azatricyclo[4.2.0.01,3]octane
SMILESCCC1C2CCN3C(Cc4ccnc5ccc(OC)cc45)CC123
InChIInChI=1S/C20H24N2O/c1-3-17-18-7-9-22-14(12-20(17,18)22)10-13-6-8-21-19-5-4-15(23-2)11-16(13)19/h4-6,8,11,14,17-18H,3,7,9-10,12H2,1-2H3
InChIKeyBWHTZTMWVUGLSY-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.66
Rot. Bonds4

About 2-ethyl-7-[(6-methoxyquinolin-4-yl)methyl]-6-azatricyclo[4.2.0.01,3]octane

2-ethyl-7-[(6-methoxyquinolin-4-yl)methyl]-6-azatricyclo[4.2.0.01,3]octane (PubChem CID 91295232) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-ethyl-7-[(6-methoxyquinolin-4-yl)methyl]-6-azatricyclo[4.2.0.01,3]octane.

Molecular Properties

Compound Name2-ethyl-7-[(6-methoxyquinolin-4-yl)methyl]-6-azatricyclo[4.2.0.01,3]octane
PubChem CID91295232
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name2-ethyl-7-[(6-methoxyquinolin-4-yl)methyl]-6-azatricyclo[4.2.0.01,3]octane
SMILESCCC1C2CCN3C(Cc4ccnc5ccc(OC)cc45)CC123
InChIInChI=1S/C20H24N2O/c1-3-17-18-7-9-22-14(12-20(17,18)22)10-13-6-8-21-19-5-4-15(23-2)11-16(13)19/h4-6,8,11,14,17-18H,3,7,9-10,12H2,1-2H3
InChIKeyBWHTZTMWVUGLSY-UHFFFAOYSA-N
XLogP3.66
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-7-[(6-methoxyquinolin-4-yl)methyl]-6-azatricyclo[4.2.0.01,3]octane with MolForge

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Related Compounds

4-[[(5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]-6-methoxyquinoline
CID 142080234
4-[[(2S,4S,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]-6-methoxyquinoline
CID 175826429
(S)-[(7R)-2-ethenyl-6-azatricyclo[4.2.0.01,3]octan-7-yl]-(6-methoxyquinolin-4-yl)methanol
CID 139540590
(2S,4S,5R)-5-ethyl-N-[(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-2-amine
CID 171780647
4-[(E)-[(4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-ylidene]methyl]-6-methoxyquinoline
CID 122399447
amino 3-fluoro-4-hydroxy-2-[(6-methoxyquinolin-4-yl)methyl]piperidine-1-carboxylate
CID 141328371
3-(6-methoxyquinolin-4-yl)propanal
CID 10751165
4-[3-[1-(cyclohexylmethyl)piperidin-4-yl]propyl]-6-methoxyquinoline
CID 141033582
N-[2-(6-methoxyquinolin-4-yl)ethyl]cyclopropanecarboxamide
CID 19709964
1-[(3R,4S)-3-ethylpiperidin-4-yl]-3-(6-methoxyquinolin-4-yl)propan-2-one
CID 70514644
tert-butyl-[[1-[1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-2-yl]methyl]carbamic acid
CID 68748239
ethyl 3-(6-methoxyquinolin-4-yl)propanoate
CID 66736782

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-[(6-methoxyquinolin-4-yl)methyl]-6-azatricyclo[4.2.0.01,3]octane?
The IUPAC name of 2-ethyl-7-[(6-methoxyquinolin-4-yl)methyl]-6-azatricyclo[4.2.0.01,3]octane (CID 91295232) is 2-ethyl-7-[(6-methoxyquinolin-4-yl)methyl]-6-azatricyclo[4.2.0.01,3]octane.
What is the SMILES notation for 2-ethyl-7-[(6-methoxyquinolin-4-yl)methyl]-6-azatricyclo[4.2.0.01,3]octane?
The canonical SMILES for 2-ethyl-7-[(6-methoxyquinolin-4-yl)methyl]-6-azatricyclo[4.2.0.01,3]octane is CCC1C2CCN3C(Cc4ccnc5ccc(OC)cc45)CC123.
What is the InChIKey of 2-ethyl-7-[(6-methoxyquinolin-4-yl)methyl]-6-azatricyclo[4.2.0.01,3]octane?
The InChIKey is BWHTZTMWVUGLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-3-17-18-7-9-22-14(12-20(17,18)22)10-13-6-8-21-19-5-4-15(23-2)11-16(13)19/h4-6,8,11,14,17-18H,3,7,9-10,12H2,1-2H3.
What are the key properties of 2-ethyl-7-[(6-methoxyquinolin-4-yl)methyl]-6-azatricyclo[4.2.0.01,3]octane?
2-ethyl-7-[(6-methoxyquinolin-4-yl)methyl]-6-azatricyclo[4.2.0.01,3]octane has a molecular weight of 308.43 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-[(6-methoxyquinolin-4-yl)methyl]-6-azatricyclo[4.2.0.01,3]octane is sourced from PubChem (CID 91295232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).