N-[2-(4-fluorophenyl)quinolin-4-yl]-N',N'-dimethylpropane-1,3-diamine

C20H22FN3 — CID 11001834

IUPACN-[2-(4-fluorophenyl)quinolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1cc(-c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C20H22FN3/c1-24(2)13-5-12-22-20-14-19(15-8-10-16(21)11-9-15)23-18-7-4-3-6-17(18)20/h3-4,6-11,14H,5,12-13H2,1-2H3,(H,22,23)
InChIKeyLINMBGNVVIFRTF-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.40
Rot. Bonds6

About N-[2-(4-fluorophenyl)quinolin-4-yl]-N',N'-dimethylpropane-1,3-diamine

N-[2-(4-fluorophenyl)quinolin-4-yl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 11001834) has the molecular formula C20H22FN3 and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)quinolin-4-yl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)quinolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID11001834
Molecular FormulaC20H22FN3
Molecular Weight323.42 g/mol
Exact Mass323.18
IUPAC NameN-[2-(4-fluorophenyl)quinolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1cc(-c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C20H22FN3/c1-24(2)13-5-12-22-20-14-19(15-8-10-16(21)11-9-15)23-18-7-4-3-6-17(18)20/h3-4,6-11,14H,5,12-13H2,1-2H3,(H,22,23)
InChIKeyLINMBGNVVIFRTF-UHFFFAOYSA-N
XLogP4.40
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.40
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'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[2-(4-fluorophenyl)quinolin-4-yl]-N',N'-dimethylpropane-1,3-diamine (CID 11001834) is N-[2-(4-fluorophenyl)quinolin-4-yl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[2-(4-fluorophenyl)quinolin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[2-(4-fluorophenyl)quinolin-4-yl]-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNc1cc(-c2ccc(F)cc2)nc2ccccc12.
What is the InChIKey of N-[2-(4-fluorophenyl)quinolin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is LINMBGNVVIFRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3/c1-24(2)13-5-12-22-20-14-19(15-8-10-16(21)11-9-15)23-18-7-4-3-6-17(18)20/h3-4,6-11,14H,5,12-13H2,1-2H3,(H,22,23).
What are the key properties of N-[2-(4-fluorophenyl)quinolin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
N-[2-(4-fluorophenyl)quinolin-4-yl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 323.42 g/mol, XLogP of 4.40, 6 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'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 11001834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).