3-chloro-2-cyclohexylquinoline-5-carboxylic acid

C16H16ClNO2 — CID 151558493

IUPAC3-chloro-2-cyclohexylquinoline-5-carboxylic acid
SMILESO=C(O)c1cccc2nc(C3CCCCC3)c(Cl)cc12
InChIInChI=1S/C16H16ClNO2/c17-13-9-12-11(16(19)20)7-4-8-14(12)18-15(13)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H,19,20)
InChIKeyQBZKIDVBDNOLGV-UHFFFAOYSA-N
MW289.76 g/mol
LogP4.63
Rot. Bonds2

About 3-chloro-2-cyclohexylquinoline-5-carboxylic acid

3-chloro-2-cyclohexylquinoline-5-carboxylic acid (PubChem CID 151558493) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 3-chloro-2-cyclohexylquinoline-5-carboxylic acid.

Molecular Properties

Compound Name3-chloro-2-cyclohexylquinoline-5-carboxylic acid
PubChem CID151558493
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name3-chloro-2-cyclohexylquinoline-5-carboxylic acid
SMILESO=C(O)c1cccc2nc(C3CCCCC3)c(Cl)cc12
InChIInChI=1S/C16H16ClNO2/c17-13-9-12-11(16(19)20)7-4-8-14(12)18-15(13)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H,19,20)
InChIKeyQBZKIDVBDNOLGV-UHFFFAOYSA-N
XLogP4.63
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-cyclohexylquinoline-5-carboxylic acid?
The IUPAC name of 3-chloro-2-cyclohexylquinoline-5-carboxylic acid (CID 151558493) is 3-chloro-2-cyclohexylquinoline-5-carboxylic acid.
What is the SMILES notation for 3-chloro-2-cyclohexylquinoline-5-carboxylic acid?
The canonical SMILES for 3-chloro-2-cyclohexylquinoline-5-carboxylic acid is O=C(O)c1cccc2nc(C3CCCCC3)c(Cl)cc12.
What is the InChIKey of 3-chloro-2-cyclohexylquinoline-5-carboxylic acid?
The InChIKey is QBZKIDVBDNOLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c17-13-9-12-11(16(19)20)7-4-8-14(12)18-15(13)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H,19,20).
What are the key properties of 3-chloro-2-cyclohexylquinoline-5-carboxylic acid?
3-chloro-2-cyclohexylquinoline-5-carboxylic acid has a molecular weight of 289.76 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-cyclohexylquinoline-5-carboxylic acid is sourced from PubChem (CID 151558493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).