6-chloro-2-(cyclohexen-1-yl)quinoline-5-carboxylic acid

C16H14ClNO2 — CID 118556115

IUPAC6-chloro-2-(cyclohexen-1-yl)quinoline-5-carboxylic acid
SMILESO=C(O)c1c(Cl)ccc2nc(C3=CCCCC3)ccc12
InChIInChI=1S/C16H14ClNO2/c17-12-7-9-14-11(15(12)16(19)20)6-8-13(18-14)10-4-2-1-3-5-10/h4,6-9H,1-3,5H2,(H,19,20)
InChIKeyVTCGDXNPGWSLLO-UHFFFAOYSA-N
MW287.75 g/mol
LogP4.54
Rot. Bonds2

About 6-chloro-2-(cyclohexen-1-yl)quinoline-5-carboxylic acid

6-chloro-2-(cyclohexen-1-yl)quinoline-5-carboxylic acid (PubChem CID 118556115) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is 6-chloro-2-(cyclohexen-1-yl)quinoline-5-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(cyclohexen-1-yl)quinoline-5-carboxylic acid
PubChem CID118556115
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name6-chloro-2-(cyclohexen-1-yl)quinoline-5-carboxylic acid
SMILESO=C(O)c1c(Cl)ccc2nc(C3=CCCCC3)ccc12
InChIInChI=1S/C16H14ClNO2/c17-12-7-9-14-11(15(12)16(19)20)6-8-13(18-14)10-4-2-1-3-5-10/h4,6-9H,1-3,5H2,(H,19,20)
InChIKeyVTCGDXNPGWSLLO-UHFFFAOYSA-N
XLogP4.54
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(cyclohexen-1-yl)quinoline-5-carboxylic acid?
The IUPAC name of 6-chloro-2-(cyclohexen-1-yl)quinoline-5-carboxylic acid (CID 118556115) is 6-chloro-2-(cyclohexen-1-yl)quinoline-5-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(cyclohexen-1-yl)quinoline-5-carboxylic acid?
The canonical SMILES for 6-chloro-2-(cyclohexen-1-yl)quinoline-5-carboxylic acid is O=C(O)c1c(Cl)ccc2nc(C3=CCCCC3)ccc12.
What is the InChIKey of 6-chloro-2-(cyclohexen-1-yl)quinoline-5-carboxylic acid?
The InChIKey is VTCGDXNPGWSLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c17-12-7-9-14-11(15(12)16(19)20)6-8-13(18-14)10-4-2-1-3-5-10/h4,6-9H,1-3,5H2,(H,19,20).
What are the key properties of 6-chloro-2-(cyclohexen-1-yl)quinoline-5-carboxylic acid?
6-chloro-2-(cyclohexen-1-yl)quinoline-5-carboxylic acid has a molecular weight of 287.75 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(cyclohexen-1-yl)quinoline-5-carboxylic acid is sourced from PubChem (CID 118556115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).