N-[2-(4-fluorophenyl)quinolin-4-yl]-N',N'-dimethylpentane-1,5-diamine

C22H26FN3 — CID 11035539

IUPACN-[2-(4-fluorophenyl)quinolin-4-yl]-N',N'-dimethylpentane-1,5-diamine
SMILESCN(C)CCCCCNc1cc(-c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C22H26FN3/c1-26(2)15-7-3-6-14-24-22-16-21(17-10-12-18(23)13-11-17)25-20-9-5-4-8-19(20)22/h4-5,8-13,16H,3,6-7,14-15H2,1-2H3,(H,24,25)
InChIKeyYCWPSQNBVDABCW-UHFFFAOYSA-N
MW351.47 g/mol
LogP5.18
Rot. Bonds8

About N-[2-(4-fluorophenyl)quinolin-4-yl]-N',N'-dimethylpentane-1,5-diamine

N-[2-(4-fluorophenyl)quinolin-4-yl]-N',N'-dimethylpentane-1,5-diamine (PubChem CID 11035539) has the molecular formula C22H26FN3 and a molecular weight of 351.47 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)quinolin-4-yl]-N',N'-dimethylpentane-1,5-diamine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)quinolin-4-yl]-N',N'-dimethylpentane-1,5-diamine
PubChem CID11035539
Molecular FormulaC22H26FN3
Molecular Weight351.47 g/mol
Exact Mass351.21
IUPAC NameN-[2-(4-fluorophenyl)quinolin-4-yl]-N',N'-dimethylpentane-1,5-diamine
SMILESCN(C)CCCCCNc1cc(-c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C22H26FN3/c1-26(2)15-7-3-6-14-24-22-16-21(17-10-12-18(23)13-11-17)25-20-9-5-4-8-19(20)22/h4-5,8-13,16H,3,6-7,14-15H2,1-2H3,(H,24,25)
InChIKeyYCWPSQNBVDABCW-UHFFFAOYSA-N
XLogP5.18
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.47
LogP ≤ 55.18
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'-dimethylpentane-1,5-diamine?
The IUPAC name of N-[2-(4-fluorophenyl)quinolin-4-yl]-N',N'-dimethylpentane-1,5-diamine (CID 11035539) is N-[2-(4-fluorophenyl)quinolin-4-yl]-N',N'-dimethylpentane-1,5-diamine.
What is the SMILES notation for N-[2-(4-fluorophenyl)quinolin-4-yl]-N',N'-dimethylpentane-1,5-diamine?
The canonical SMILES for N-[2-(4-fluorophenyl)quinolin-4-yl]-N',N'-dimethylpentane-1,5-diamine is CN(C)CCCCCNc1cc(-c2ccc(F)cc2)nc2ccccc12.
What is the InChIKey of N-[2-(4-fluorophenyl)quinolin-4-yl]-N',N'-dimethylpentane-1,5-diamine?
The InChIKey is YCWPSQNBVDABCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3/c1-26(2)15-7-3-6-14-24-22-16-21(17-10-12-18(23)13-11-17)25-20-9-5-4-8-19(20)22/h4-5,8-13,16H,3,6-7,14-15H2,1-2H3,(H,24,25).
What are the key properties of N-[2-(4-fluorophenyl)quinolin-4-yl]-N',N'-dimethylpentane-1,5-diamine?
N-[2-(4-fluorophenyl)quinolin-4-yl]-N',N'-dimethylpentane-1,5-diamine has a molecular weight of 351.47 g/mol, XLogP of 5.18, 8 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'-dimethylpentane-1,5-diamine is sourced from PubChem (CID 11035539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).