8-[5-(diethylamino)pentylamino]-6-hydroxyquinoline-5-carboxamide

C19H28N4O2 — CID 58516203

IUPAC8-[5-(diethylamino)pentylamino]-6-hydroxyquinoline-5-carboxamide
SMILESCCN(CC)CCCCCNc1cc(O)c(C(N)=O)c2cccnc12
InChIInChI=1S/C19H28N4O2/c1-3-23(4-2)12-7-5-6-10-21-15-13-16(24)17(19(20)25)14-9-8-11-22-18(14)15/h8-9,11,13,21,24H,3-7,10,12H2,1-2H3,(H2,20,25)
InChIKeyOFLVXAVSQDXLMC-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.96
Rot. Bonds10

About 8-[5-(diethylamino)pentylamino]-6-hydroxyquinoline-5-carboxamide

8-[5-(diethylamino)pentylamino]-6-hydroxyquinoline-5-carboxamide (PubChem CID 58516203) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 8-[5-(diethylamino)pentylamino]-6-hydroxyquinoline-5-carboxamide.

Molecular Properties

Compound Name8-[5-(diethylamino)pentylamino]-6-hydroxyquinoline-5-carboxamide
PubChem CID58516203
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name8-[5-(diethylamino)pentylamino]-6-hydroxyquinoline-5-carboxamide
SMILESCCN(CC)CCCCCNc1cc(O)c(C(N)=O)c2cccnc12
InChIInChI=1S/C19H28N4O2/c1-3-23(4-2)12-7-5-6-10-21-15-13-16(24)17(19(20)25)14-9-8-11-22-18(14)15/h8-9,11,13,21,24H,3-7,10,12H2,1-2H3,(H2,20,25)
InChIKeyOFLVXAVSQDXLMC-UHFFFAOYSA-N
XLogP2.96
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.96
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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Related Compounds

N',N'-diethyl-N-(4-ethyl-6-methoxyquinolin-8-yl)hexane-1,6-diamine
CID 12529748
5-N-[2-(diethylamino)ethyl]quinoline-5,8-diamine
CID 43449423
N-(5,6-dimethoxy-4-methylquinolin-8-yl)-N',N'-diethylhexane-1,6-diamine;dihydrochloride
CID 12618413
8-N-[3-(diethylamino)propyl]-7-fluoroquinoline-5,8-diamine
CID 83163867
N',N'-diethyl-N-(6-methoxy-4-methylquinolin-8-yl)hexane-1,6-diamine;4-methylbenzenesulfonic acid
CID 24769161
4-N-[2-(diethylamino)ethyl]quinoline-4,8-diamine
CID 83057902
5-chloro-7-[[3-(diethylamino)propylamino]methyl]quinolin-8-ol;dihydrochloride
CID 20847
3-[2-(diethylamino)ethylamino]benzamide
CID 107811316
N',N'-diethyl-N-(8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)butane-1,4-diamine
CID 110432281
5,7-bis[(dibutylamino)methyl]quinolin-8-ol
CID 71405853
N-[5-(diethylamino)pentyl]-3,4-dimethoxybenzamide
CID 110441376
2-(cyclohexylamino)-8-[5-(diethylamino)pentylamino]quinolin-6-ol
CID 58516197

Frequently Asked Questions

What is the IUPAC name of 8-[5-(diethylamino)pentylamino]-6-hydroxyquinoline-5-carboxamide?
The IUPAC name of 8-[5-(diethylamino)pentylamino]-6-hydroxyquinoline-5-carboxamide (CID 58516203) is 8-[5-(diethylamino)pentylamino]-6-hydroxyquinoline-5-carboxamide.
What is the SMILES notation for 8-[5-(diethylamino)pentylamino]-6-hydroxyquinoline-5-carboxamide?
The canonical SMILES for 8-[5-(diethylamino)pentylamino]-6-hydroxyquinoline-5-carboxamide is CCN(CC)CCCCCNc1cc(O)c(C(N)=O)c2cccnc12.
What is the InChIKey of 8-[5-(diethylamino)pentylamino]-6-hydroxyquinoline-5-carboxamide?
The InChIKey is OFLVXAVSQDXLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-3-23(4-2)12-7-5-6-10-21-15-13-16(24)17(19(20)25)14-9-8-11-22-18(14)15/h8-9,11,13,21,24H,3-7,10,12H2,1-2H3,(H2,20,25).
What are the key properties of 8-[5-(diethylamino)pentylamino]-6-hydroxyquinoline-5-carboxamide?
8-[5-(diethylamino)pentylamino]-6-hydroxyquinoline-5-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.96, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(diethylamino)pentylamino]-6-hydroxyquinoline-5-carboxamide is sourced from PubChem (CID 58516203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).