2-(cyclohexylamino)-8-[5-(diethylamino)pentylamino]quinolin-6-ol

C24H38N4O — CID 58516197

IUPAC2-(cyclohexylamino)-8-[5-(diethylamino)pentylamino]quinolin-6-ol
SMILESCCN(CC)CCCCCNc1cc(O)cc2ccc(NC3CCCCC3)nc12
InChIInChI=1S/C24H38N4O/c1-3-28(4-2)16-10-6-9-15-25-22-18-21(29)17-19-13-14-23(27-24(19)22)26-20-11-7-5-8-12-20/h13-14,17-18,20,25,29H,3-12,15-16H2,1-2H3,(H,26,27)
InChIKeyPXWHXMLQHGDRIY-UHFFFAOYSA-N
MW398.60 g/mol
LogP5.61
Rot. Bonds11

About 2-(cyclohexylamino)-8-[5-(diethylamino)pentylamino]quinolin-6-ol

2-(cyclohexylamino)-8-[5-(diethylamino)pentylamino]quinolin-6-ol (PubChem CID 58516197) has the molecular formula C24H38N4O and a molecular weight of 398.60 g/mol. Its IUPAC name is 2-(cyclohexylamino)-8-[5-(diethylamino)pentylamino]quinolin-6-ol.

Molecular Properties

Compound Name2-(cyclohexylamino)-8-[5-(diethylamino)pentylamino]quinolin-6-ol
PubChem CID58516197
Molecular FormulaC24H38N4O
Molecular Weight398.60 g/mol
Exact Mass398.30
IUPAC Name2-(cyclohexylamino)-8-[5-(diethylamino)pentylamino]quinolin-6-ol
SMILESCCN(CC)CCCCCNc1cc(O)cc2ccc(NC3CCCCC3)nc12
InChIInChI=1S/C24H38N4O/c1-3-28(4-2)16-10-6-9-15-25-22-18-21(29)17-19-13-14-23(27-24(19)22)26-20-11-7-5-8-12-20/h13-14,17-18,20,25,29H,3-12,15-16H2,1-2H3,(H,26,27)
InChIKeyPXWHXMLQHGDRIY-UHFFFAOYSA-N
XLogP5.61
TPSA60.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.60
LogP ≤ 55.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-8-[5-(diethylamino)pentylamino]quinolin-6-ol?
The IUPAC name of 2-(cyclohexylamino)-8-[5-(diethylamino)pentylamino]quinolin-6-ol (CID 58516197) is 2-(cyclohexylamino)-8-[5-(diethylamino)pentylamino]quinolin-6-ol.
What is the SMILES notation for 2-(cyclohexylamino)-8-[5-(diethylamino)pentylamino]quinolin-6-ol?
The canonical SMILES for 2-(cyclohexylamino)-8-[5-(diethylamino)pentylamino]quinolin-6-ol is CCN(CC)CCCCCNc1cc(O)cc2ccc(NC3CCCCC3)nc12.
What is the InChIKey of 2-(cyclohexylamino)-8-[5-(diethylamino)pentylamino]quinolin-6-ol?
The InChIKey is PXWHXMLQHGDRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O/c1-3-28(4-2)16-10-6-9-15-25-22-18-21(29)17-19-13-14-23(27-24(19)22)26-20-11-7-5-8-12-20/h13-14,17-18,20,25,29H,3-12,15-16H2,1-2H3,(H,26,27).
What are the key properties of 2-(cyclohexylamino)-8-[5-(diethylamino)pentylamino]quinolin-6-ol?
2-(cyclohexylamino)-8-[5-(diethylamino)pentylamino]quinolin-6-ol has a molecular weight of 398.60 g/mol, XLogP of 5.61, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-8-[5-(diethylamino)pentylamino]quinolin-6-ol is sourced from PubChem (CID 58516197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).