1-azabicyclo[2.2.1]heptan-2-yl-(6-methoxyquinolin-4-yl)methanol

C17H20N2O2 — CID 132545018

IUPAC1-azabicyclo[2.2.1]heptan-2-yl-(6-methoxyquinolin-4-yl)methanol
SMILESCOc1ccc2nccc(C(O)C3CC4CCN3C4)c2c1
InChIInChI=1S/C17H20N2O2/c1-21-12-2-3-15-14(9-12)13(4-6-18-15)17(20)16-8-11-5-7-19(16)10-11/h2-4,6,9,11,16-17,20H,5,7-8,10H2,1H3
InChIKeyPNANCVUZZQNTDG-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.37
Rot. Bonds3

About 1-azabicyclo[2.2.1]heptan-2-yl-(6-methoxyquinolin-4-yl)methanol

1-azabicyclo[2.2.1]heptan-2-yl-(6-methoxyquinolin-4-yl)methanol (PubChem CID 132545018) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-azabicyclo[2.2.1]heptan-2-yl-(6-methoxyquinolin-4-yl)methanol.

Molecular Properties

Compound Name1-azabicyclo[2.2.1]heptan-2-yl-(6-methoxyquinolin-4-yl)methanol
PubChem CID132545018
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-azabicyclo[2.2.1]heptan-2-yl-(6-methoxyquinolin-4-yl)methanol
SMILESCOc1ccc2nccc(C(O)C3CC4CCN3C4)c2c1
InChIInChI=1S/C17H20N2O2/c1-21-12-2-3-15-14(9-12)13(4-6-18-15)17(20)16-8-11-5-7-19(16)10-11/h2-4,6,9,11,16-17,20H,5,7-8,10H2,1H3
InChIKeyPNANCVUZZQNTDG-UHFFFAOYSA-N
XLogP2.37
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-(111C)methoxyquinolin-4-yl)methanol
CID 56643420
(S)-[(2S,4R,5S)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CID 6604612
(S)-[(4R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CID 155372243
[(2R,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CID 16759993
(R)-[(2R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CID 23305116
(R)-[(4S)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CID 155372245
(R)-[(2S,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CID 5484444
(S)-[(2R,5S)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CID 66589237
1-[6-[(R)-hydroxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-yl]ethanone
CID 135033521
azane;[(2R,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CID 146405919
(R)-[(2R,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;hydroiodide
CID 69334291
(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;dihydrate
CID 23624046

Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[2.2.1]heptan-2-yl-(6-methoxyquinolin-4-yl)methanol?
The IUPAC name of 1-azabicyclo[2.2.1]heptan-2-yl-(6-methoxyquinolin-4-yl)methanol (CID 132545018) is 1-azabicyclo[2.2.1]heptan-2-yl-(6-methoxyquinolin-4-yl)methanol.
What is the SMILES notation for 1-azabicyclo[2.2.1]heptan-2-yl-(6-methoxyquinolin-4-yl)methanol?
The canonical SMILES for 1-azabicyclo[2.2.1]heptan-2-yl-(6-methoxyquinolin-4-yl)methanol is COc1ccc2nccc(C(O)C3CC4CCN3C4)c2c1.
What is the InChIKey of 1-azabicyclo[2.2.1]heptan-2-yl-(6-methoxyquinolin-4-yl)methanol?
The InChIKey is PNANCVUZZQNTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-21-12-2-3-15-14(9-12)13(4-6-18-15)17(20)16-8-11-5-7-19(16)10-11/h2-4,6,9,11,16-17,20H,5,7-8,10H2,1H3.
What are the key properties of 1-azabicyclo[2.2.1]heptan-2-yl-(6-methoxyquinolin-4-yl)methanol?
1-azabicyclo[2.2.1]heptan-2-yl-(6-methoxyquinolin-4-yl)methanol has a molecular weight of 284.36 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[2.2.1]heptan-2-yl-(6-methoxyquinolin-4-yl)methanol is sourced from PubChem (CID 132545018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).