N-[2-(4-fluorophenyl)quinolin-4-yl]-N',N'-dimethylbutane-1,4-diamine

C21H24FN3 — CID 11121274

IUPACN-[2-(4-fluorophenyl)quinolin-4-yl]-N',N'-dimethylbutane-1,4-diamine
SMILESCN(C)CCCCNc1cc(-c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C21H24FN3/c1-25(2)14-6-5-13-23-21-15-20(16-9-11-17(22)12-10-16)24-19-8-4-3-7-18(19)21/h3-4,7-12,15H,5-6,13-14H2,1-2H3,(H,23,24)
InChIKeyRWJQGOUHQORFPE-UHFFFAOYSA-N
MW337.44 g/mol
LogP4.79
Rot. Bonds7

About N-[2-(4-fluorophenyl)quinolin-4-yl]-N',N'-dimethylbutane-1,4-diamine

N-[2-(4-fluorophenyl)quinolin-4-yl]-N',N'-dimethylbutane-1,4-diamine (PubChem CID 11121274) has the molecular formula C21H24FN3 and a molecular weight of 337.44 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)quinolin-4-yl]-N',N'-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)quinolin-4-yl]-N',N'-dimethylbutane-1,4-diamine
PubChem CID11121274
Molecular FormulaC21H24FN3
Molecular Weight337.44 g/mol
Exact Mass337.20
IUPAC NameN-[2-(4-fluorophenyl)quinolin-4-yl]-N',N'-dimethylbutane-1,4-diamine
SMILESCN(C)CCCCNc1cc(-c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C21H24FN3/c1-25(2)14-6-5-13-23-21-15-20(16-9-11-17(22)12-10-16)24-19-8-4-3-7-18(19)21/h3-4,7-12,15H,5-6,13-14H2,1-2H3,(H,23,24)
InChIKeyRWJQGOUHQORFPE-UHFFFAOYSA-N
XLogP4.79
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-[2-(4-fluorophenyl)quinolin-4-yl]-N',N'-dimethylbutane-1,4-diamine?
The IUPAC name of N-[2-(4-fluorophenyl)quinolin-4-yl]-N',N'-dimethylbutane-1,4-diamine (CID 11121274) is N-[2-(4-fluorophenyl)quinolin-4-yl]-N',N'-dimethylbutane-1,4-diamine.
What is the SMILES notation for N-[2-(4-fluorophenyl)quinolin-4-yl]-N',N'-dimethylbutane-1,4-diamine?
The canonical SMILES for N-[2-(4-fluorophenyl)quinolin-4-yl]-N',N'-dimethylbutane-1,4-diamine is CN(C)CCCCNc1cc(-c2ccc(F)cc2)nc2ccccc12.
What is the InChIKey of N-[2-(4-fluorophenyl)quinolin-4-yl]-N',N'-dimethylbutane-1,4-diamine?
The InChIKey is RWJQGOUHQORFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3/c1-25(2)14-6-5-13-23-21-15-20(16-9-11-17(22)12-10-16)24-19-8-4-3-7-18(19)21/h3-4,7-12,15H,5-6,13-14H2,1-2H3,(H,23,24).
What are the key properties of N-[2-(4-fluorophenyl)quinolin-4-yl]-N',N'-dimethylbutane-1,4-diamine?
N-[2-(4-fluorophenyl)quinolin-4-yl]-N',N'-dimethylbutane-1,4-diamine has a molecular weight of 337.44 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)quinolin-4-yl]-N',N'-dimethylbutane-1,4-diamine is sourced from PubChem (CID 11121274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).