benzyl 7-bromo-2-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate

C23H18BrClFNO2 — CID 132590302

IUPACbenzyl 7-bromo-2-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESO=C(OCc1ccccc1)N1c2cc(Br)c(F)cc2CCC1c1ccccc1Cl
InChIInChI=1S/C23H18BrClFNO2/c24-18-13-22-16(12-20(18)26)10-11-21(17-8-4-5-9-19(17)25)27(22)23(28)29-14-15-6-2-1-3-7-15/h1-9,12-13,21H,10-11,14H2
InChIKeyTZVMOGKHBLISAS-UHFFFAOYSA-N
MW474.76 g/mol
LogP7.07
Rot. Bonds3

About benzyl 7-bromo-2-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate

benzyl 7-bromo-2-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate (PubChem CID 132590302) has the molecular formula C23H18BrClFNO2 and a molecular weight of 474.76 g/mol. Its IUPAC name is benzyl 7-bromo-2-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Namebenzyl 7-bromo-2-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate
PubChem CID132590302
Molecular FormulaC23H18BrClFNO2
Molecular Weight474.76 g/mol
Exact Mass473.02
IUPAC Namebenzyl 7-bromo-2-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESO=C(OCc1ccccc1)N1c2cc(Br)c(F)cc2CCC1c1ccccc1Cl
InChIInChI=1S/C23H18BrClFNO2/c24-18-13-22-16(12-20(18)26)10-11-21(17-8-4-5-9-19(17)25)27(22)23(28)29-14-15-6-2-1-3-7-15/h1-9,12-13,21H,10-11,14H2
InChIKeyTZVMOGKHBLISAS-UHFFFAOYSA-N
XLogP7.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.76
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl 7-bromo-6-fluoro-2-(2-fluorophenyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 132590308
benzyl 6-bromo-7-fluoro-2-(4-fluorophenyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 132590041
benzyl 6-bromo-2-(2-fluorophenyl)-7-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 132590117
benzyl 7-bromo-2-(4-chlorophenyl)-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 132590252
benzyl 6-bromo-5-chloro-2-(2-chlorophenyl)-8-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 132589979
benzyl 8-bromo-2-(3-chlorophenyl)-6,7-difluoro-3,4-dihydro-2H-quinoline-1-carboxylate
CID 132590126
(2R)-6-bromo-1-phenylmethoxycarbonyl-3,4-dihydro-2H-quinoline-2-carboxylic acid
CID 154803661
benzyl 8-bromo-6-chloro-2-ethyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 132589332
benzyl 6-bromo-7-methoxy-2-(2-methylpropyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 132589238
benzyl 6-bromo-2-(3-chlorophenyl)-8-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 132590177
benzyl 7-bromo-2-ethyl-5-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate
CID 132589359
benzyl 7-bromo-5-fluoro-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 132589509

Frequently Asked Questions

What is the IUPAC name of benzyl 7-bromo-2-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate?
The IUPAC name of benzyl 7-bromo-2-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate (CID 132590302) is benzyl 7-bromo-2-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate.
What is the SMILES notation for benzyl 7-bromo-2-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate?
The canonical SMILES for benzyl 7-bromo-2-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate is O=C(OCc1ccccc1)N1c2cc(Br)c(F)cc2CCC1c1ccccc1Cl.
What is the InChIKey of benzyl 7-bromo-2-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate?
The InChIKey is TZVMOGKHBLISAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrClFNO2/c24-18-13-22-16(12-20(18)26)10-11-21(17-8-4-5-9-19(17)25)27(22)23(28)29-14-15-6-2-1-3-7-15/h1-9,12-13,21H,10-11,14H2.
What are the key properties of benzyl 7-bromo-2-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate?
benzyl 7-bromo-2-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate has a molecular weight of 474.76 g/mol, XLogP of 7.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 7-bromo-2-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate is sourced from PubChem (CID 132590302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).