6-bromo-2-[2-(4-chlorophenyl)ethenyl]quinoline-4-carboxylic acid

C18H11BrClNO2 — CID 57361735

IUPAC6-bromo-2-[2-(4-chlorophenyl)ethenyl]quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(C=Cc2ccc(Cl)cc2)nc2ccc(Br)cc12
InChIInChI=1S/C18H11BrClNO2/c19-12-4-8-17-15(9-12)16(18(22)23)10-14(21-17)7-3-11-1-5-13(20)6-2-11/h1-10H,(H,22,23)
InChIKeyKLGMKIOVWBDWPX-UHFFFAOYSA-N
MW388.65 g/mol
LogP5.52
Rot. Bonds3

About 6-bromo-2-[2-(4-chlorophenyl)ethenyl]quinoline-4-carboxylic acid

6-bromo-2-[2-(4-chlorophenyl)ethenyl]quinoline-4-carboxylic acid (PubChem CID 57361735) has the molecular formula C18H11BrClNO2 and a molecular weight of 388.65 g/mol. Its IUPAC name is 6-bromo-2-[2-(4-chlorophenyl)ethenyl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-bromo-2-[2-(4-chlorophenyl)ethenyl]quinoline-4-carboxylic acid
PubChem CID57361735
Molecular FormulaC18H11BrClNO2
Molecular Weight388.65 g/mol
Exact Mass386.97
IUPAC Name6-bromo-2-[2-(4-chlorophenyl)ethenyl]quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(C=Cc2ccc(Cl)cc2)nc2ccc(Br)cc12
InChIInChI=1S/C18H11BrClNO2/c19-12-4-8-17-15(9-12)16(18(22)23)10-14(21-17)7-3-11-1-5-13(20)6-2-11/h1-10H,(H,22,23)
InChIKeyKLGMKIOVWBDWPX-UHFFFAOYSA-N
XLogP5.52
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.65
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[2-(4-chlorophenyl)ethenyl]quinoline-4-carboxylic acid?
The IUPAC name of 6-bromo-2-[2-(4-chlorophenyl)ethenyl]quinoline-4-carboxylic acid (CID 57361735) is 6-bromo-2-[2-(4-chlorophenyl)ethenyl]quinoline-4-carboxylic acid.
What is the SMILES notation for 6-bromo-2-[2-(4-chlorophenyl)ethenyl]quinoline-4-carboxylic acid?
The canonical SMILES for 6-bromo-2-[2-(4-chlorophenyl)ethenyl]quinoline-4-carboxylic acid is O=C(O)c1cc(C=Cc2ccc(Cl)cc2)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-2-[2-(4-chlorophenyl)ethenyl]quinoline-4-carboxylic acid?
The InChIKey is KLGMKIOVWBDWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrClNO2/c19-12-4-8-17-15(9-12)16(18(22)23)10-14(21-17)7-3-11-1-5-13(20)6-2-11/h1-10H,(H,22,23).
What are the key properties of 6-bromo-2-[2-(4-chlorophenyl)ethenyl]quinoline-4-carboxylic acid?
6-bromo-2-[2-(4-chlorophenyl)ethenyl]quinoline-4-carboxylic acid has a molecular weight of 388.65 g/mol, XLogP of 5.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[2-(4-chlorophenyl)ethenyl]quinoline-4-carboxylic acid is sourced from PubChem (CID 57361735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).