6-bromo-2-(2-cyclohexylethenyl)quinoline-4-carboxylic acid

C18H18BrNO2 — CID 57372302

IUPAC6-bromo-2-(2-cyclohexylethenyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(C=CC2CCCCC2)nc2ccc(Br)cc12
InChIInChI=1S/C18H18BrNO2/c19-13-7-9-17-15(10-13)16(18(21)22)11-14(20-17)8-6-12-4-2-1-3-5-12/h6-12H,1-5H2,(H,21,22)
InChIKeyWWUZKUJJNPKJAG-UHFFFAOYSA-N
MW360.25 g/mol
LogP5.29
Rot. Bonds3

About 6-bromo-2-(2-cyclohexylethenyl)quinoline-4-carboxylic acid

6-bromo-2-(2-cyclohexylethenyl)quinoline-4-carboxylic acid (PubChem CID 57372302) has the molecular formula C18H18BrNO2 and a molecular weight of 360.25 g/mol. Its IUPAC name is 6-bromo-2-(2-cyclohexylethenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-bromo-2-(2-cyclohexylethenyl)quinoline-4-carboxylic acid
PubChem CID57372302
Molecular FormulaC18H18BrNO2
Molecular Weight360.25 g/mol
Exact Mass359.05
IUPAC Name6-bromo-2-(2-cyclohexylethenyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(C=CC2CCCCC2)nc2ccc(Br)cc12
InChIInChI=1S/C18H18BrNO2/c19-13-7-9-17-15(10-13)16(18(21)22)11-14(20-17)8-6-12-4-2-1-3-5-12/h6-12H,1-5H2,(H,21,22)
InChIKeyWWUZKUJJNPKJAG-UHFFFAOYSA-N
XLogP5.29
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.25
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-2-[2-(4-chlorophenyl)ethenyl]quinoline-4-carboxylic acid
CID 57361735
6-bromo-2-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]quinoline-4-carboxylic acid
CID 16777739
6-bromo-2-[(E)-2-(2-methylphenyl)ethenyl]quinoline-4-carboxylic acid
CID 16772352
7-bromo-2-cyclohexylquinoline-4-carboxylic acid
CID 43805508
1-bromo-4-(2-cyclohexylethenyl)benzene
CID 170694986
4-bromo-2-[(E)-2-cyclohexylethenyl]-1-methoxybenzene
CID 156741287
6-bromo-2-(2-bromophenyl)quinoline-4-carboxylic acid
CID 994225
4-amino-6-bromoquinoline-3-carboxylic acid;methoxycyclopentane
CID 145305834
6-bromo-2-cyclopropylquinoline-4-carbohydrazide
CID 779890
5-bromo-2-cyclohexylsulfanylbenzoic acid
CID 114896238
6-bromo-2-(4-tert-butylphenyl)-N-cyclooctylquinoline-4-carboxamide
CID 3361283
[6-bromo-2-[(E)-2-(4-bromophenyl)ethenyl]quinolin-4-yl]-[(3S)-3-methyl-4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]methanone
CID 167981719

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-cyclohexylethenyl)quinoline-4-carboxylic acid?
The IUPAC name of 6-bromo-2-(2-cyclohexylethenyl)quinoline-4-carboxylic acid (CID 57372302) is 6-bromo-2-(2-cyclohexylethenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-bromo-2-(2-cyclohexylethenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-bromo-2-(2-cyclohexylethenyl)quinoline-4-carboxylic acid is O=C(O)c1cc(C=CC2CCCCC2)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-2-(2-cyclohexylethenyl)quinoline-4-carboxylic acid?
The InChIKey is WWUZKUJJNPKJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO2/c19-13-7-9-17-15(10-13)16(18(21)22)11-14(20-17)8-6-12-4-2-1-3-5-12/h6-12H,1-5H2,(H,21,22).
What are the key properties of 6-bromo-2-(2-cyclohexylethenyl)quinoline-4-carboxylic acid?
6-bromo-2-(2-cyclohexylethenyl)quinoline-4-carboxylic acid has a molecular weight of 360.25 g/mol, XLogP of 5.29, 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-cyclohexylethenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 57372302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).