(6-ethynylquinolin-2-yl)methanamine

C12H10N2 — CID 150208190

IUPAC(6-ethynylquinolin-2-yl)methanamine
SMILESC#Cc1ccc2nc(CN)ccc2c1
InChIInChI=1S/C12H10N2/c1-2-9-3-6-12-10(7-9)4-5-11(8-13)14-12/h1,3-7H,8,13H2
InChIKeyFQXMYXAUINCLHD-UHFFFAOYSA-N
MW182.23 g/mol
LogP1.67
Rot. Bonds1

About (6-ethynylquinolin-2-yl)methanamine

(6-ethynylquinolin-2-yl)methanamine (PubChem CID 150208190) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is (6-ethynylquinolin-2-yl)methanamine.

Molecular Properties

Compound Name(6-ethynylquinolin-2-yl)methanamine
PubChem CID150208190
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name(6-ethynylquinolin-2-yl)methanamine
SMILESC#Cc1ccc2nc(CN)ccc2c1
InChIInChI=1S/C12H10N2/c1-2-9-3-6-12-10(7-9)4-5-11(8-13)14-12/h1,3-7H,8,13H2
InChIKeyFQXMYXAUINCLHD-UHFFFAOYSA-N
XLogP1.67
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 51.67
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-ethynylquinolin-2-yl)methanamine?
The IUPAC name of (6-ethynylquinolin-2-yl)methanamine (CID 150208190) is (6-ethynylquinolin-2-yl)methanamine.
What is the SMILES notation for (6-ethynylquinolin-2-yl)methanamine?
The canonical SMILES for (6-ethynylquinolin-2-yl)methanamine is C#Cc1ccc2nc(CN)ccc2c1.
What is the InChIKey of (6-ethynylquinolin-2-yl)methanamine?
The InChIKey is FQXMYXAUINCLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c1-2-9-3-6-12-10(7-9)4-5-11(8-13)14-12/h1,3-7H,8,13H2.
What are the key properties of (6-ethynylquinolin-2-yl)methanamine?
(6-ethynylquinolin-2-yl)methanamine has a molecular weight of 182.23 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethynylquinolin-2-yl)methanamine is sourced from PubChem (CID 150208190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).