[2-(imidazol-1-ylmethyl)phenyl]-[3-(quinolin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone

C28H28N4O — CID 110149187

IUPAC[2-(imidazol-1-ylmethyl)phenyl]-[3-(quinolin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
SMILESO=C(c1ccccc1Cn1ccnc1)N1C2CCC1CC(Cc1cnc3ccccc3c1)C2
InChIInChI=1S/C28H28N4O/c33-28(26-7-3-1-6-23(26)18-31-12-11-29-19-31)32-24-9-10-25(32)16-20(15-24)13-21-14-22-5-2-4-8-27(22)30-17-21/h1-8,11-12,14,17,19-20,24-25H,9-10,13,15-16,18H2
InChIKeyKBQAUBGCXPIKHY-UHFFFAOYSA-N
MW436.56 g/mol
LogP5.11
Rot. Bonds5

About [2-(imidazol-1-ylmethyl)phenyl]-[3-(quinolin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone

[2-(imidazol-1-ylmethyl)phenyl]-[3-(quinolin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone (PubChem CID 110149187) has the molecular formula C28H28N4O and a molecular weight of 436.56 g/mol. Its IUPAC name is [2-(imidazol-1-ylmethyl)phenyl]-[3-(quinolin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone.

Molecular Properties

Compound Name[2-(imidazol-1-ylmethyl)phenyl]-[3-(quinolin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
PubChem CID110149187
Molecular FormulaC28H28N4O
Molecular Weight436.56 g/mol
Exact Mass436.23
IUPAC Name[2-(imidazol-1-ylmethyl)phenyl]-[3-(quinolin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
SMILESO=C(c1ccccc1Cn1ccnc1)N1C2CCC1CC(Cc1cnc3ccccc3c1)C2
InChIInChI=1S/C28H28N4O/c33-28(26-7-3-1-6-23(26)18-31-12-11-29-19-31)32-24-9-10-25(32)16-20(15-24)13-21-14-22-5-2-4-8-27(22)30-17-21/h1-8,11-12,14,17,19-20,24-25H,9-10,13,15-16,18H2
InChIKeyKBQAUBGCXPIKHY-UHFFFAOYSA-N
XLogP5.11
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(imidazol-1-ylmethyl)phenyl]-[3-(quinolin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone 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

[(1S,5S)-3-(isoquinolin-8-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]-[2-(pyrazol-1-ylmethyl)phenyl]methanone
CID 129457721
4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid
CID 24892821
[2-(imidazol-1-ylmethyl)phenyl]-[(6R)-6-(isoquinolin-7-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124961368
1,3-oxazol-5-yl-[4-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 118739871
[(6R)-4-benzyl-6-(pyrazin-2-ylmethyl)-1,4-diazepan-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone
CID 129454097
pyrimidin-2-yl-[3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 110111665
pyridazin-4-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 110111706
1H-imidazol-5-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 110111486
3-(piperidin-4-ylmethyl)quinoline;dihydrochloride
CID 53407804
[2-(imidazol-1-ylmethyl)phenyl]-phenylmethanone
CID 16747937
N-(4-methylphenyl)-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide
CID 158349781
(5-methyl-1,2-oxazol-3-yl)-[4-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 110090567

Frequently Asked Questions

What is the IUPAC name of [2-(imidazol-1-ylmethyl)phenyl]-[3-(quinolin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The IUPAC name of [2-(imidazol-1-ylmethyl)phenyl]-[3-(quinolin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone (CID 110149187) is [2-(imidazol-1-ylmethyl)phenyl]-[3-(quinolin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone.
What is the SMILES notation for [2-(imidazol-1-ylmethyl)phenyl]-[3-(quinolin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The canonical SMILES for [2-(imidazol-1-ylmethyl)phenyl]-[3-(quinolin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone is O=C(c1ccccc1Cn1ccnc1)N1C2CCC1CC(Cc1cnc3ccccc3c1)C2.
What is the InChIKey of [2-(imidazol-1-ylmethyl)phenyl]-[3-(quinolin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The InChIKey is KBQAUBGCXPIKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O/c33-28(26-7-3-1-6-23(26)18-31-12-11-29-19-31)32-24-9-10-25(32)16-20(15-24)13-21-14-22-5-2-4-8-27(22)30-17-21/h1-8,11-12,14,17,19-20,24-25H,9-10,13,15-16,18H2.
What are the key properties of [2-(imidazol-1-ylmethyl)phenyl]-[3-(quinolin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
[2-(imidazol-1-ylmethyl)phenyl]-[3-(quinolin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone has a molecular weight of 436.56 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(imidazol-1-ylmethyl)phenyl]-[3-(quinolin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone is sourced from PubChem (CID 110149187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).