CCOC(=O)C1=CN=C2C(=C1Cl)C=CC=C2OC
CAS: 27568-05-4
Name: ethyl 4-chloro-8-methoxyquinoline-3-carboxylate
SMILES: CCOC(=O)C1=CN=C2C(=C1Cl)C=CC=C2OC

Molecular Processing

Molecular formula
C13H12ClNO3
Molecular weight
265.7
Exact mass
265.0506
XLogP
3.07
TPSA
48.42
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
69.26

Supplementary Information

InChIKey: BBOZDELEERNECG-UHFFFAOYSA-N
Synonyme
27568-05-43-Quinolinecarboxylic acid, 4-chloro-8-methoxy-, ethyl esterRefChem:1068780ethyl 4-chloro-8-methoxyquinoline-3-carboxylateMFCD00173395ethyl 4-chloro-8-methoxy-quinoline-3-carboxylateethyl 4-chloro-8-methoxy-3-quinolinecarboxylateNSC1969064-Chloro-8-methoxyquinoline-3-carboxylic acid ethyl esterEthyl4-chloro-8-methoxyquinoline-3-carboxylateOprea1_017505SCHEMBL7745034-Chloro-8-methoxy-quinoline-3-carboxylic acid ethyl esterDTXSID70307937BBOZDELEERNECG-UHFFFAOYSA-NBBL009954SBB079125STK711104AKOS000167178NSC 196906NSC-196906SB68695SY139094DB-067802CS-0072973ST504076186J-034EN300-110489ethyl 4-chloro-8-methoxyquinoline3-carboxylateethyl 8-methoxy-4-chloroquinoline-3-carboxylate
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