4-(quinolin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-ol

C17H20N2O — CID 105365938

IUPAC4-(quinolin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-ol
SMILESOC1(Cc2ccnc3ccccc23)CCN2CCC1C2
InChIInChI=1S/C17H20N2O/c20-17(7-10-19-9-6-14(17)12-19)11-13-5-8-18-16-4-2-1-3-15(13)16/h1-5,8,14,20H,6-7,9-12H2
InChIKeyZHZMQVXAUOFYEP-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.23
Rot. Bonds2

About 4-(quinolin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-ol

4-(quinolin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-ol (PubChem CID 105365938) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-(quinolin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-ol.

Molecular Properties

Compound Name4-(quinolin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-ol
PubChem CID105365938
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name4-(quinolin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-ol
SMILESOC1(Cc2ccnc3ccccc23)CCN2CCC1C2
InChIInChI=1S/C17H20N2O/c20-17(7-10-19-9-6-14(17)12-19)11-13-5-8-18-16-4-2-1-3-15(13)16/h1-5,8,14,20H,6-7,9-12H2
InChIKeyZHZMQVXAUOFYEP-UHFFFAOYSA-N
XLogP2.23
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(quinolin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-amino-3-pyridinyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
CID 105365930
4-[(1-ethylindazol-3-yl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
CID 105365768
4-[(2-bromo-5-fluorophenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
CID 105365802
4-[(5-chlorothiophen-2-yl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
CID 105365921
4-[(4-propan-2-ylphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
CID 105365757
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-quinolin-4-ylethanone
CID 79960182
[1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 79241362
[(2R)-1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 79240208
3-fluoro-3-(quinolin-4-ylmethyl)cyclohexan-1-amine
CID 112567479
1-(quinolin-4-ylmethyl)cycloheptane-1-carboxylic acid
CID 79423213
(3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-(quinolin-4-ylmethyl)piperidin-3-ol
CID 28768711
1-[1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]propan-2-one
CID 79546140

Frequently Asked Questions

What is the IUPAC name of 4-(quinolin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-ol?
The IUPAC name of 4-(quinolin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-ol (CID 105365938) is 4-(quinolin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-ol.
What is the SMILES notation for 4-(quinolin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-ol?
The canonical SMILES for 4-(quinolin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-ol is OC1(Cc2ccnc3ccccc23)CCN2CCC1C2.
What is the InChIKey of 4-(quinolin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-ol?
The InChIKey is ZHZMQVXAUOFYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c20-17(7-10-19-9-6-14(17)12-19)11-13-5-8-18-16-4-2-1-3-15(13)16/h1-5,8,14,20H,6-7,9-12H2.
What are the key properties of 4-(quinolin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-ol?
4-(quinolin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-ol has a molecular weight of 268.36 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(quinolin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-ol is sourced from PubChem (CID 105365938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).