[6-[2-(4-fluorophenyl)ethynyl]quinolin-2-yl]methanamine

C18H13FN2 — CID 150505701

IUPAC[6-[2-(4-fluorophenyl)ethynyl]quinolin-2-yl]methanamine
SMILESNCc1ccc2cc(C#Cc3ccc(F)cc3)ccc2n1
InChIInChI=1S/C18H13FN2/c19-16-7-3-13(4-8-16)1-2-14-5-10-18-15(11-14)6-9-17(12-20)21-18/h3-11H,12,20H2
InChIKeyHYTMTPSAXSFSOH-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.23
Rot. Bonds1

About [6-[2-(4-fluorophenyl)ethynyl]quinolin-2-yl]methanamine

[6-[2-(4-fluorophenyl)ethynyl]quinolin-2-yl]methanamine (PubChem CID 150505701) has the molecular formula C18H13FN2 and a molecular weight of 276.31 g/mol. Its IUPAC name is [6-[2-(4-fluorophenyl)ethynyl]quinolin-2-yl]methanamine.

Molecular Properties

Compound Name[6-[2-(4-fluorophenyl)ethynyl]quinolin-2-yl]methanamine
PubChem CID150505701
Molecular FormulaC18H13FN2
Molecular Weight276.31 g/mol
Exact Mass276.11
IUPAC Name[6-[2-(4-fluorophenyl)ethynyl]quinolin-2-yl]methanamine
SMILESNCc1ccc2cc(C#Cc3ccc(F)cc3)ccc2n1
InChIInChI=1S/C18H13FN2/c19-16-7-3-13(4-8-16)1-2-14-5-10-18-15(11-14)6-9-17(12-20)21-18/h3-11H,12,20H2
InChIKeyHYTMTPSAXSFSOH-UHFFFAOYSA-N
XLogP3.23
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
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 [6-[2-(4-fluorophenyl)ethynyl]quinolin-2-yl]methanamine?
The IUPAC name of [6-[2-(4-fluorophenyl)ethynyl]quinolin-2-yl]methanamine (CID 150505701) is [6-[2-(4-fluorophenyl)ethynyl]quinolin-2-yl]methanamine.
What is the SMILES notation for [6-[2-(4-fluorophenyl)ethynyl]quinolin-2-yl]methanamine?
The canonical SMILES for [6-[2-(4-fluorophenyl)ethynyl]quinolin-2-yl]methanamine is NCc1ccc2cc(C#Cc3ccc(F)cc3)ccc2n1.
What is the InChIKey of [6-[2-(4-fluorophenyl)ethynyl]quinolin-2-yl]methanamine?
The InChIKey is HYTMTPSAXSFSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2/c19-16-7-3-13(4-8-16)1-2-14-5-10-18-15(11-14)6-9-17(12-20)21-18/h3-11H,12,20H2.
What are the key properties of [6-[2-(4-fluorophenyl)ethynyl]quinolin-2-yl]methanamine?
[6-[2-(4-fluorophenyl)ethynyl]quinolin-2-yl]methanamine has a molecular weight of 276.31 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(4-fluorophenyl)ethynyl]quinolin-2-yl]methanamine is sourced from PubChem (CID 150505701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).