8-hydroxy-N-(4-phenylbutyl)quinoline-7-carboxamide;methane

C21H24N2O2 — CID 157185579

IUPAC8-hydroxy-N-(4-phenylbutyl)quinoline-7-carboxamide;methane
SMILESC.O=C(NCCCCc1ccccc1)c1ccc2cccnc2c1O
InChIInChI=1S/C20H20N2O2.CH4/c23-19-17(12-11-16-10-6-14-21-18(16)19)20(24)22-13-5-4-9-15-7-2-1-3-8-15;/h1-3,6-8,10-12,14,23H,4-5,9,13H2,(H,22,24);1H4
InChIKeyAPBTZOOQTMYFEF-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.33
Rot. Bonds6

About 8-hydroxy-N-(4-phenylbutyl)quinoline-7-carboxamide;methane

8-hydroxy-N-(4-phenylbutyl)quinoline-7-carboxamide;methane (PubChem CID 157185579) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 8-hydroxy-N-(4-phenylbutyl)quinoline-7-carboxamide;methane.

Molecular Properties

Compound Name8-hydroxy-N-(4-phenylbutyl)quinoline-7-carboxamide;methane
PubChem CID157185579
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name8-hydroxy-N-(4-phenylbutyl)quinoline-7-carboxamide;methane
SMILESC.O=C(NCCCCc1ccccc1)c1ccc2cccnc2c1O
InChIInChI=1S/C20H20N2O2.CH4/c23-19-17(12-11-16-10-6-14-21-18(16)19)20(24)22-13-5-4-9-15-7-2-1-3-8-15;/h1-3,6-8,10-12,14,23H,4-5,9,13H2,(H,22,24);1H4
InChIKeyAPBTZOOQTMYFEF-UHFFFAOYSA-N
XLogP4.33
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-bromophenyl)ethyl]-8-hydroxyquinoline-7-carboxamide;methane
CID 159643443
N-[2-(4-chlorophenyl)ethyl]-8-hydroxyquinoline-7-carboxamide
CID 18372521
N-(3,3-diphenylpropyl)-8-hydroxyquinoline-7-carboxamide
CID 18372579
8-hydroxy-N-(pyridin-2-ylmethyl)quinoline-7-carboxamide
CID 53302604
8-hydroxy-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]quinoline-7-carboxamide
CID 18345011
8-hydroxy-N-(3-phenylprop-2-enyl)quinoline-7-carboxamide
CID 68896999
8-hydroxy-N-[(E)-3-phenylprop-2-enyl]quinoline-7-carboxamide
CID 22346434
8-hydroxy-N-[7-[(8-hydroxyquinoline-7-carbonyl)amino]-4-[3-[(8-hydroxyquinoline-7-carbonyl)amino]propyl]-4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]heptyl]quinoline-7-carboxamide
CID 10419033
2-hydrazinyl-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 62237813
2-fluoro-N-(4-phenylbutyl)benzamide
CID 2057513
N-(2-bromophenyl)-8-hydroxyquinoline-7-carboxamide;methane
CID 161317877
8-hydroxy-N-(2-phenylcyclopropyl)quinoline-7-carboxamide
CID 20816868

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-N-(4-phenylbutyl)quinoline-7-carboxamide;methane?
The IUPAC name of 8-hydroxy-N-(4-phenylbutyl)quinoline-7-carboxamide;methane (CID 157185579) is 8-hydroxy-N-(4-phenylbutyl)quinoline-7-carboxamide;methane.
What is the SMILES notation for 8-hydroxy-N-(4-phenylbutyl)quinoline-7-carboxamide;methane?
The canonical SMILES for 8-hydroxy-N-(4-phenylbutyl)quinoline-7-carboxamide;methane is C.O=C(NCCCCc1ccccc1)c1ccc2cccnc2c1O.
What is the InChIKey of 8-hydroxy-N-(4-phenylbutyl)quinoline-7-carboxamide;methane?
The InChIKey is APBTZOOQTMYFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2.CH4/c23-19-17(12-11-16-10-6-14-21-18(16)19)20(24)22-13-5-4-9-15-7-2-1-3-8-15;/h1-3,6-8,10-12,14,23H,4-5,9,13H2,(H,22,24);1H4.
What are the key properties of 8-hydroxy-N-(4-phenylbutyl)quinoline-7-carboxamide;methane?
8-hydroxy-N-(4-phenylbutyl)quinoline-7-carboxamide;methane has a molecular weight of 336.44 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-N-(4-phenylbutyl)quinoline-7-carboxamide;methane is sourced from PubChem (CID 157185579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).