4-(cyclohexylamino)quinolin-6-ol;hydrate;hydrobromide

C15H21BrN2O2 — CID 22417951

IUPAC4-(cyclohexylamino)quinolin-6-ol;hydrate;hydrobromide
SMILESBr.O.Oc1ccc2nccc(NC3CCCCC3)c2c1
InChIInChI=1S/C15H18N2O.BrH.H2O/c18-12-6-7-14-13(10-12)15(8-9-16-14)17-11-4-2-1-3-5-11;;/h6-11,18H,1-5H2,(H,16,17);1H;1H2
InChIKeyRUNNMBQIKWTSMT-UHFFFAOYSA-N
MW341.25 g/mol
LogP3.44
Rot. Bonds2

About 4-(cyclohexylamino)quinolin-6-ol;hydrate;hydrobromide

4-(cyclohexylamino)quinolin-6-ol;hydrate;hydrobromide (PubChem CID 22417951) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 4-(cyclohexylamino)quinolin-6-ol;hydrate;hydrobromide.

Molecular Properties

Compound Name4-(cyclohexylamino)quinolin-6-ol;hydrate;hydrobromide
PubChem CID22417951
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name4-(cyclohexylamino)quinolin-6-ol;hydrate;hydrobromide
SMILESBr.O.Oc1ccc2nccc(NC3CCCCC3)c2c1
InChIInChI=1S/C15H18N2O.BrH.H2O/c18-12-6-7-14-13(10-12)15(8-9-16-14)17-11-4-2-1-3-5-11;;/h6-11,18H,1-5H2,(H,16,17);1H;1H2
InChIKeyRUNNMBQIKWTSMT-UHFFFAOYSA-N
XLogP3.44
TPSA76.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)quinolin-6-ol;hydrate;hydrobromide?
The IUPAC name of 4-(cyclohexylamino)quinolin-6-ol;hydrate;hydrobromide (CID 22417951) is 4-(cyclohexylamino)quinolin-6-ol;hydrate;hydrobromide.
What is the SMILES notation for 4-(cyclohexylamino)quinolin-6-ol;hydrate;hydrobromide?
The canonical SMILES for 4-(cyclohexylamino)quinolin-6-ol;hydrate;hydrobromide is Br.O.Oc1ccc2nccc(NC3CCCCC3)c2c1.
What is the InChIKey of 4-(cyclohexylamino)quinolin-6-ol;hydrate;hydrobromide?
The InChIKey is RUNNMBQIKWTSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O.BrH.H2O/c18-12-6-7-14-13(10-12)15(8-9-16-14)17-11-4-2-1-3-5-11;;/h6-11,18H,1-5H2,(H,16,17);1H;1H2.
What are the key properties of 4-(cyclohexylamino)quinolin-6-ol;hydrate;hydrobromide?
4-(cyclohexylamino)quinolin-6-ol;hydrate;hydrobromide has a molecular weight of 341.25 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)quinolin-6-ol;hydrate;hydrobromide is sourced from PubChem (CID 22417951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).