7-cyclohexylquinoline-4-carboxylic acid

C16H17NO2 — CID 138508053

IUPAC7-cyclohexylquinoline-4-carboxylic acid
SMILESO=C(O)c1ccnc2cc(C3CCCCC3)ccc12
InChIInChI=1S/C16H17NO2/c18-16(19)14-8-9-17-15-10-12(6-7-13(14)15)11-4-2-1-3-5-11/h6-11H,1-5H2,(H,18,19)
InChIKeyOIWMFHUHCDZZRV-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.98
Rot. Bonds2

About 7-cyclohexylquinoline-4-carboxylic acid

7-cyclohexylquinoline-4-carboxylic acid (PubChem CID 138508053) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 7-cyclohexylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name7-cyclohexylquinoline-4-carboxylic acid
PubChem CID138508053
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name7-cyclohexylquinoline-4-carboxylic acid
SMILESO=C(O)c1ccnc2cc(C3CCCCC3)ccc12
InChIInChI=1S/C16H17NO2/c18-16(19)14-8-9-17-15-10-12(6-7-13(14)15)11-4-2-1-3-5-11/h6-11H,1-5H2,(H,18,19)
InChIKeyOIWMFHUHCDZZRV-UHFFFAOYSA-N
XLogP3.98
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexylquinoline-4-carboxylic acid?
The IUPAC name of 7-cyclohexylquinoline-4-carboxylic acid (CID 138508053) is 7-cyclohexylquinoline-4-carboxylic acid.
What is the SMILES notation for 7-cyclohexylquinoline-4-carboxylic acid?
The canonical SMILES for 7-cyclohexylquinoline-4-carboxylic acid is O=C(O)c1ccnc2cc(C3CCCCC3)ccc12.
What is the InChIKey of 7-cyclohexylquinoline-4-carboxylic acid?
The InChIKey is OIWMFHUHCDZZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c18-16(19)14-8-9-17-15-10-12(6-7-13(14)15)11-4-2-1-3-5-11/h6-11H,1-5H2,(H,18,19).
What are the key properties of 7-cyclohexylquinoline-4-carboxylic acid?
7-cyclohexylquinoline-4-carboxylic acid has a molecular weight of 255.32 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexylquinoline-4-carboxylic acid is sourced from PubChem (CID 138508053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).