Home
MCP
Workbench
Skills
More
English
English
Home
Workbench
Notifications
Me
2-[4-[3-(Aminomethyl)pyrrolidin-1-yl]-7-methylquinazolin-2-yl]phenol (HCID 136366687)|Huagongshe
Home
/
Compound
2-[4-[3-(Aminomethyl)pyrrolidin-1-yl]-7-methylquinazolin-2-yl]phenol
HCID
136366687
Save
Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
Substructure search
Find similar structures
Basic information
Standard SMILES
Cc1ccc2c(N3CCC(CN)C3)nc(-c3ccccc3O)nc2c1
InChIKey
HXJZBSITNFGMJB-UHFFFAOYSA-N
Molecular formula
C20H22N4O
Average molar mass
334.4 g/mol
Names & identifiers
Preferred name
2-[4-[3-(Aminomethyl)pyrrolidin-1-yl]-7-methylquinazolin-2-yl]phenol
IUPAC
2-[4-[3-(aminomethyl)pyrrolidin-1-yl]-7-methylquinazolin-2-yl]phenol
Names & synonyms
SCHEMBL1621902
Database identifiers
PubChem CID
136366687
Properties
Computed structural properties
XLogP
3.1
Topological polar surface area
75.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
25
Formal charge
0
Complexity
447
Show all 8
Show all 8 / 8
Related reactions
6 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
86342
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
202142
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID
308551
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID
1567691
As product
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID
2140609
As product
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID
2326905
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Show 2 more
Compound notes
Loading…