[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-ethoxyquinoline-4-carboxylate

C20H24N2O3 — CID 10382620

IUPAC[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-ethoxyquinoline-4-carboxylate
SMILESCCOc1cc(C(=O)OC2C[C@H]3CC[C@@H](C2)N3C)c2ccccc2n1
InChIInChI=1S/C20H24N2O3/c1-3-24-19-12-17(16-6-4-5-7-18(16)21-19)20(23)25-15-10-13-8-9-14(11-15)22(13)2/h4-7,12-15H,3,8-11H2,1-2H3/t13-,14+,15?
InChIKeyPLGBDAOJWFRTSH-YIONKMFJSA-N
MW340.42 g/mol
LogP3.42
Rot. Bonds4

About [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-ethoxyquinoline-4-carboxylate

[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-ethoxyquinoline-4-carboxylate (PubChem CID 10382620) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-ethoxyquinoline-4-carboxylate.

Molecular Properties

Compound Name[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-ethoxyquinoline-4-carboxylate
PubChem CID10382620
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-ethoxyquinoline-4-carboxylate
SMILESCCOc1cc(C(=O)OC2C[C@H]3CC[C@@H](C2)N3C)c2ccccc2n1
InChIInChI=1S/C20H24N2O3/c1-3-24-19-12-17(16-6-4-5-7-18(16)21-19)20(23)25-15-10-13-8-9-14(11-15)22(13)2/h4-7,12-15H,3,8-11H2,1-2H3/t13-,14+,15?
InChIKeyPLGBDAOJWFRTSH-YIONKMFJSA-N
XLogP3.42
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-ethoxyquinoline-4-carboxylate with MolForge

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Related Compounds

Dibucaine
CID 3025
Dibucaine Hydrochloride
CID 521951
2-(4-Ethoxyphenyl)quinoline-4-carboxylic acid
CID 673734
2-Methoxy-4-quinolinecarboxylic acid
CID 1130354
KF 17643
CID 132697
(1-butylpiperidin-4-yl)methyl 3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole-10-carboxylate
CID 9864179
2-Pentyloxy-quinoline-4-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 44339912
2-Butoxy-quinoline-4-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 44339913
2-Isobutoxy-quinoline-4-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 44339933
2-Ethoxy-quinoline-4-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 44339934
2-Methoxy-quinoline-4-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 44339951
2-Isopropoxy-quinoline-4-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 44363536

Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-ethoxyquinoline-4-carboxylate?
The IUPAC name of [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-ethoxyquinoline-4-carboxylate (CID 10382620) is [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-ethoxyquinoline-4-carboxylate.
What is the SMILES notation for [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-ethoxyquinoline-4-carboxylate?
The canonical SMILES for [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-ethoxyquinoline-4-carboxylate is CCOc1cc(C(=O)OC2C[C@H]3CC[C@@H](C2)N3C)c2ccccc2n1.
What is the InChIKey of [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-ethoxyquinoline-4-carboxylate?
The InChIKey is PLGBDAOJWFRTSH-YIONKMFJSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-3-24-19-12-17(16-6-4-5-7-18(16)21-19)20(23)25-15-10-13-8-9-14(11-15)22(13)2/h4-7,12-15H,3,8-11H2,1-2H3/t13-,14+,15?.
What are the key properties of [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-ethoxyquinoline-4-carboxylate?
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-ethoxyquinoline-4-carboxylate has a molecular weight of 340.42 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-ethoxyquinoline-4-carboxylate is sourced from PubChem (CID 10382620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).