ILL
Summary
Name: | 4-(aminomethyl)-6-chloroquinolin-2(1H)-one |
Formula: | C10 H9 Cl N2 O |
Formal charge: | 0 |
Formula weight: | 208.644 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 4-(aminomethyl)-6-chloroquinolin-2(1H)-one |
OpenEye OEToolkits | 1.7.6 | 4-(aminomethyl)-6-chloranyl-1H-quinolin-2-one |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc2ccc1c(C(=CC(=O)N1)CN)c2 |
InChI | InChI | 1.03 | InChI=1S/C10H9ClN2O/c11-7-1-2-9-8(4-7)6(5-12)3-10(14)13-9/h1-4H,5,12H2,(H,13,14) |
InChIKey | InChI | 1.03 | MBZOVDFWTCQUTF-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NCC1=CC(=O)Nc2ccc(Cl)cc12 |
SMILES | CACTVS | 3.385 | NCC1=CC(=O)Nc2ccc(Cl)cc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1Cl)C(=CC(=O)N2)CN |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1Cl)C(=CC(=O)N2)CN |