ethyl 8-(2,3-dichlorophenyl)-4-(dimethylamino)-7-fluoroquinoline-3-carboxylate

C20H17Cl2FN2O2 — CID 156882033

IUPACethyl 8-(2,3-dichlorophenyl)-4-(dimethylamino)-7-fluoroquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(-c3cccc(Cl)c3Cl)c(F)ccc2c1N(C)C
InChIInChI=1S/C20H17Cl2FN2O2/c1-4-27-20(26)13-10-24-18-12(19(13)25(2)3)8-9-15(23)16(18)11-6-5-7-14(21)17(11)22/h5-10H,4H2,1-3H3
InChIKeyQZUCGAFZIWQZRE-UHFFFAOYSA-N
MW407.27 g/mol
LogP5.59
Rot. Bonds4

About ethyl 8-(2,3-dichlorophenyl)-4-(dimethylamino)-7-fluoroquinoline-3-carboxylate

ethyl 8-(2,3-dichlorophenyl)-4-(dimethylamino)-7-fluoroquinoline-3-carboxylate (PubChem CID 156882033) has the molecular formula C20H17Cl2FN2O2 and a molecular weight of 407.27 g/mol. Its IUPAC name is ethyl 8-(2,3-dichlorophenyl)-4-(dimethylamino)-7-fluoroquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-(2,3-dichlorophenyl)-4-(dimethylamino)-7-fluoroquinoline-3-carboxylate
PubChem CID156882033
Molecular FormulaC20H17Cl2FN2O2
Molecular Weight407.27 g/mol
Exact Mass406.07
IUPAC Nameethyl 8-(2,3-dichlorophenyl)-4-(dimethylamino)-7-fluoroquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(-c3cccc(Cl)c3Cl)c(F)ccc2c1N(C)C
InChIInChI=1S/C20H17Cl2FN2O2/c1-4-27-20(26)13-10-24-18-12(19(13)25(2)3)8-9-15(23)16(18)11-6-5-7-14(21)17(11)22/h5-10H,4H2,1-3H3
InChIKeyQZUCGAFZIWQZRE-UHFFFAOYSA-N
XLogP5.59
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.27
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(2,3-dichlorophenyl)-4-(dimethylamino)-7-fluoroquinoline-3-carboxylic acid
CID 156882069
ethyl 4-(dimethylamino)-7-fluoro-8-(2,3,5-trifluorophenyl)quinoline-3-carboxylate
CID 156881974
ethyl 4,8-dichloroquinoline-3-carboxylate
CID 728974
pentabenzyl 6-[4-(dimethylamino)-3-ethoxycarbonylquinolin-8-yl]benzene-1,2,3,4,5-pentacarboxylate
CID 138722736
ethyl 4-chloro-5,8-difluoroquinoline-3-carboxylate
CID 17040076
ethyl 4-chloro-8-phenylquinoline-3-carboxylate
CID 18549723
ethyl 7-chloro-4-(dimethylamino)-6-methoxyquinoline-3-carboxylate
CID 54772978
ethyl 4-chloro-8-iodoquinoline-3-carboxylate
CID 11792955
4-(dimethylamino)-7-fluoro-8-[2,3,4,5,6-pentakis(phenylmethoxycarbonyl)phenyl]quinoline-3-carboxylic acid
CID 138722738
ethyl 4-(2,3-dichlorophenyl)-2-fluorobenzoate
CID 134617655
ethyl 4-chloro-8-(trifluoromethoxy)quinoline-3-carboxylate
CID 29272013
diethyl 4-(dimethylamino)quinoline-3,7-dicarboxylate
CID 43839933

Frequently Asked Questions

What is the IUPAC name of ethyl 8-(2,3-dichlorophenyl)-4-(dimethylamino)-7-fluoroquinoline-3-carboxylate?
The IUPAC name of ethyl 8-(2,3-dichlorophenyl)-4-(dimethylamino)-7-fluoroquinoline-3-carboxylate (CID 156882033) is ethyl 8-(2,3-dichlorophenyl)-4-(dimethylamino)-7-fluoroquinoline-3-carboxylate.
What is the SMILES notation for ethyl 8-(2,3-dichlorophenyl)-4-(dimethylamino)-7-fluoroquinoline-3-carboxylate?
The canonical SMILES for ethyl 8-(2,3-dichlorophenyl)-4-(dimethylamino)-7-fluoroquinoline-3-carboxylate is CCOC(=O)c1cnc2c(-c3cccc(Cl)c3Cl)c(F)ccc2c1N(C)C.
What is the InChIKey of ethyl 8-(2,3-dichlorophenyl)-4-(dimethylamino)-7-fluoroquinoline-3-carboxylate?
The InChIKey is QZUCGAFZIWQZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2FN2O2/c1-4-27-20(26)13-10-24-18-12(19(13)25(2)3)8-9-15(23)16(18)11-6-5-7-14(21)17(11)22/h5-10H,4H2,1-3H3.
What are the key properties of ethyl 8-(2,3-dichlorophenyl)-4-(dimethylamino)-7-fluoroquinoline-3-carboxylate?
ethyl 8-(2,3-dichlorophenyl)-4-(dimethylamino)-7-fluoroquinoline-3-carboxylate has a molecular weight of 407.27 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-(2,3-dichlorophenyl)-4-(dimethylamino)-7-fluoroquinoline-3-carboxylate is sourced from PubChem (CID 156882033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).