CCOC(=O)C1=C(C2=CC=CC=C2N=C1)Cl
CAS: 13720-94-0
Name: ethyl 4-chloroquinoline-3-carboxylate
SMILES: CCOC(=O)C1=C(C2=CC=CC=C2N=C1)Cl

Molecular Processing

Molecular formula
C12H10ClNO2
Molecular weight
235.67
Exact mass
235.04
XLogP
3.06
TPSA
39.19
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
62.71

Supplementary Information

InChIKey: DWXQUAHMZWZXHP-UHFFFAOYSA-N
Synonyms
Ethyl 4-Chloroquinoline-3-carboxylateDTXSID00296461RefChem:595400DTXCID00247599802-791-513720-94-0ETHYL 4-CHLORO-3-QUINOLINECARBOXYLATE3-Quinolinecarboxylic acid, 4-chloro-, ethyl ester4-Chloroquinoline-3-carboxylic acid ethyl esterMFCD00173407Ethyl 4-chloro-quinoline-3-carboxylateNSC136916Bionet2_0002174-Chloro-quinoline-3-carboxylic acid ethyl esterOprea1_721888SCHEMBL776014orb3022721SCHEMBL30631460TPL0309DWXQUAHMZWZXHP-UHFFFAOYSA-NHMS1364J19BBL009951ethyl 4-chloroquinolin-3-carboxylateNSC109461SBB079251AKOS000191778AC-2908ethyl 4-chloro-3-quinoline carboxylateNSC-109461NSC-136916
View source →
Involved in 27 reactions→

Extended Search

Substructure Search→Similarity Search→