7-bromo-2-cyclohexylquinoline-4-carboxylic acid

C16H16BrNO2 — CID 43805508

IUPAC7-bromo-2-cyclohexylquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(C2CCCCC2)nc2cc(Br)ccc12
InChIInChI=1S/C16H16BrNO2/c17-11-6-7-12-13(16(19)20)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,19,20)
InChIKeyRIMVHEUVINDDGR-UHFFFAOYSA-N
MW334.21 g/mol
LogP4.74
Rot. Bonds2

About 7-bromo-2-cyclohexylquinoline-4-carboxylic acid

7-bromo-2-cyclohexylquinoline-4-carboxylic acid (PubChem CID 43805508) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 7-bromo-2-cyclohexylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name7-bromo-2-cyclohexylquinoline-4-carboxylic acid
PubChem CID43805508
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name7-bromo-2-cyclohexylquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(C2CCCCC2)nc2cc(Br)ccc12
InChIInChI=1S/C16H16BrNO2/c17-11-6-7-12-13(16(19)20)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,19,20)
InChIKeyRIMVHEUVINDDGR-UHFFFAOYSA-N
XLogP4.74
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-cyclohexylquinoline-4-carboxylic acid?
The IUPAC name of 7-bromo-2-cyclohexylquinoline-4-carboxylic acid (CID 43805508) is 7-bromo-2-cyclohexylquinoline-4-carboxylic acid.
What is the SMILES notation for 7-bromo-2-cyclohexylquinoline-4-carboxylic acid?
The canonical SMILES for 7-bromo-2-cyclohexylquinoline-4-carboxylic acid is O=C(O)c1cc(C2CCCCC2)nc2cc(Br)ccc12.
What is the InChIKey of 7-bromo-2-cyclohexylquinoline-4-carboxylic acid?
The InChIKey is RIMVHEUVINDDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c17-11-6-7-12-13(16(19)20)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,19,20).
What are the key properties of 7-bromo-2-cyclohexylquinoline-4-carboxylic acid?
7-bromo-2-cyclohexylquinoline-4-carboxylic acid has a molecular weight of 334.21 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-cyclohexylquinoline-4-carboxylic acid is sourced from PubChem (CID 43805508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).