3-(aminomethyl)-N-butyl-7-chloroquinolin-4-amine
Basic information
- CAS
5423-72-3- Standard SMILES
CCCCNc1c(CN)cnc2cc(Cl)ccc12- InChIKey
LKEMVVCLTDWQJE-UHFFFAOYSA-N- Molecular formula
- C14H18ClN3
- Average molar mass
- 263.76 g/mol
- Monoisotopic mass
- 263.1189253
Names & identifiers
- Preferred name
- 3-(aminomethyl)-N-butyl-7-chloroquinolin-4-amine
- IUPAC
- 3-(aminomethyl)-N-butyl-7-chloroquinolin-4-amine
Names & synonyms
3-(aminomethyl)-N-butyl-7-chloroquinolin-4-amine5423-72-3NSC13239CHEMBL187216NCI-13239NSC-13239NCIStruc1_000320NCIStruc2_001125DTXSID00279577NCI13239BDBM50154454CCG-37792
Show more names
NCGC00013150NCGC00013150-02NCGC00096271-01NCI60_000715(3-Aminomethyl-7-chloro-quinolin-4-yl)-butyl-amine3-(aminomethyl)-N-butyl-7-chloro-quinolin-4-amineN-(3-(aminomethyl)-7-chloro-4-quinolinyl)-N-butylamine
Database identifiers
- CAS
5423-72-3- PubChem CID
- 224604
- DTXSID
DTXSID00279577- ChEMBL
CHEMBL187216- Nikkaji
- J2.890.646C
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 50.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 249
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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