2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(3-methoxyquinolin-5-yl)ethanol

C19H25N3O2 — CID 69377865

IUPAC2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(3-methoxyquinolin-5-yl)ethanol
SMILESCOc1cnc2cccc(C(O)CN3C4CCC3CC(N)C4)c2c1
InChIInChI=1S/C19H25N3O2/c1-24-15-9-17-16(3-2-4-18(17)21-10-15)19(23)11-22-13-5-6-14(22)8-12(20)7-13/h2-4,9-10,12-14,19,23H,5-8,11,20H2,1H3
InChIKeyPLPAUARHOHXKDD-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.23
Rot. Bonds4

About 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(3-methoxyquinolin-5-yl)ethanol

2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(3-methoxyquinolin-5-yl)ethanol (PubChem CID 69377865) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(3-methoxyquinolin-5-yl)ethanol.

Molecular Properties

Compound Name2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(3-methoxyquinolin-5-yl)ethanol
PubChem CID69377865
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(3-methoxyquinolin-5-yl)ethanol
SMILESCOc1cnc2cccc(C(O)CN3C4CCC3CC(N)C4)c2c1
InChIInChI=1S/C19H25N3O2/c1-24-15-9-17-16(3-2-4-18(17)21-10-15)19(23)11-22-13-5-6-14(22)8-12(20)7-13/h2-4,9-10,12-14,19,23H,5-8,11,20H2,1H3
InChIKeyPLPAUARHOHXKDD-UHFFFAOYSA-N
XLogP2.23
TPSA71.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(3-methoxyquinolin-5-yl)ethanol with MolForge

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Launch Full Analysis

Related Compounds

(1R)-1-(3-methoxyquinolin-5-yl)ethane-1,2-diol
CID 141137953
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(2-methoxyquinolin-8-yl)ethanol
CID 141137926
1-(3-methoxyquinolin-5-yl)ethanol
CID 141175761
2-[(2S,5R,6S)-5-amino-6-(hydroxymethyl)oxan-2-yl]-1-(3-methoxyquinolin-5-yl)ethanol
CID 69183300
2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]-1-(3-methoxyquinolin-5-yl)ethanol
CID 59626858
1-(3-methoxyquinolin-5-yl)-2-[6-[[(E)-3-pyridin-2-ylprop-2-enyl]amino]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethanol
CID 143189430
7-fluoro-6-[[[1-[2-hydroxy-2-(3-methoxyquinolin-5-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-1,4-benzothiazin-3-one
CID 59626865
8-[(3-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61233101
2-[3-(1,3-benzodioxol-5-ylmethylamino)-8-azabicyclo[3.2.1]octan-8-yl]-1-(6-methoxyquinolin-4-yl)ethanol
CID 21104573
tert-butyl (3R,4R)-3-formyl-4-[(3S)-3-hydroxy-3-(3-methoxyquinolin-5-yl)propyl]piperidine-1-carboxylate
CID 87498695
1-(3-chloro-6-methoxyquinolin-4-yl)-2-[3-(3-phenylprop-2-enylamino)-8-azabicyclo[3.2.1]octan-8-yl]ethanol
CID 69438329
ethane;7-fluoro-6-[[[1-[2-hydroxy-2-(3-methoxyquinolin-5-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-1,4-benzothiazin-3-one
CID 143437106

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(3-methoxyquinolin-5-yl)ethanol?
The IUPAC name of 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(3-methoxyquinolin-5-yl)ethanol (CID 69377865) is 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(3-methoxyquinolin-5-yl)ethanol.
What is the SMILES notation for 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(3-methoxyquinolin-5-yl)ethanol?
The canonical SMILES for 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(3-methoxyquinolin-5-yl)ethanol is COc1cnc2cccc(C(O)CN3C4CCC3CC(N)C4)c2c1.
What is the InChIKey of 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(3-methoxyquinolin-5-yl)ethanol?
The InChIKey is PLPAUARHOHXKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-24-15-9-17-16(3-2-4-18(17)21-10-15)19(23)11-22-13-5-6-14(22)8-12(20)7-13/h2-4,9-10,12-14,19,23H,5-8,11,20H2,1H3.
What are the key properties of 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(3-methoxyquinolin-5-yl)ethanol?
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(3-methoxyquinolin-5-yl)ethanol has a molecular weight of 327.43 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(3-methoxyquinolin-5-yl)ethanol is sourced from PubChem (CID 69377865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).