3-[3-(3-fluorophenyl)quinolin-7-yl]-N,N-dimethylprop-2-yn-1-amine

C20H17FN2 — CID 19063760

IUPAC3-[3-(3-fluorophenyl)quinolin-7-yl]-N,N-dimethylprop-2-yn-1-amine
SMILESCN(C)CC#Cc1ccc2cc(-c3cccc(F)c3)cnc2c1
InChIInChI=1S/C20H17FN2/c1-23(2)10-4-5-15-8-9-17-12-18(14-22-20(17)11-15)16-6-3-7-19(21)13-16/h3,6-9,11-14H,10H2,1-2H3
InChIKeyXASPFAXJAUVDJT-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.95
Rot. Bonds2

About 3-[3-(3-fluorophenyl)quinolin-7-yl]-N,N-dimethylprop-2-yn-1-amine

3-[3-(3-fluorophenyl)quinolin-7-yl]-N,N-dimethylprop-2-yn-1-amine (PubChem CID 19063760) has the molecular formula C20H17FN2 and a molecular weight of 304.37 g/mol. Its IUPAC name is 3-[3-(3-fluorophenyl)quinolin-7-yl]-N,N-dimethylprop-2-yn-1-amine.

Molecular Properties

Compound Name3-[3-(3-fluorophenyl)quinolin-7-yl]-N,N-dimethylprop-2-yn-1-amine
PubChem CID19063760
Molecular FormulaC20H17FN2
Molecular Weight304.37 g/mol
Exact Mass304.14
IUPAC Name3-[3-(3-fluorophenyl)quinolin-7-yl]-N,N-dimethylprop-2-yn-1-amine
SMILESCN(C)CC#Cc1ccc2cc(-c3cccc(F)c3)cnc2c1
InChIInChI=1S/C20H17FN2/c1-23(2)10-4-5-15-8-9-17-12-18(14-22-20(17)11-15)16-6-3-7-19(21)13-16/h3,6-9,11-14H,10H2,1-2H3
InChIKeyXASPFAXJAUVDJT-UHFFFAOYSA-N
XLogP3.95
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-fluorophenyl)quinolin-7-yl]-N,N-dimethylprop-2-yn-1-amine?
The IUPAC name of 3-[3-(3-fluorophenyl)quinolin-7-yl]-N,N-dimethylprop-2-yn-1-amine (CID 19063760) is 3-[3-(3-fluorophenyl)quinolin-7-yl]-N,N-dimethylprop-2-yn-1-amine.
What is the SMILES notation for 3-[3-(3-fluorophenyl)quinolin-7-yl]-N,N-dimethylprop-2-yn-1-amine?
The canonical SMILES for 3-[3-(3-fluorophenyl)quinolin-7-yl]-N,N-dimethylprop-2-yn-1-amine is CN(C)CC#Cc1ccc2cc(-c3cccc(F)c3)cnc2c1.
What is the InChIKey of 3-[3-(3-fluorophenyl)quinolin-7-yl]-N,N-dimethylprop-2-yn-1-amine?
The InChIKey is XASPFAXJAUVDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2/c1-23(2)10-4-5-15-8-9-17-12-18(14-22-20(17)11-15)16-6-3-7-19(21)13-16/h3,6-9,11-14H,10H2,1-2H3.
What are the key properties of 3-[3-(3-fluorophenyl)quinolin-7-yl]-N,N-dimethylprop-2-yn-1-amine?
3-[3-(3-fluorophenyl)quinolin-7-yl]-N,N-dimethylprop-2-yn-1-amine has a molecular weight of 304.37 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-fluorophenyl)quinolin-7-yl]-N,N-dimethylprop-2-yn-1-amine is sourced from PubChem (CID 19063760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).