(E)-N-prop-2-ynoxy-1-quinolin-4-ylmethanimine

C13H10N2O — CID 162406043

IUPAC(E)-N-prop-2-ynoxy-1-quinolin-4-ylmethanimine
SMILESC#CCO/N=C/c1ccnc2ccccc12
InChIInChI=1S/C13H10N2O/c1-2-9-16-15-10-11-7-8-14-13-6-4-3-5-12(11)13/h1,3-8,10H,9H2/b15-10+
InChIKeyBKTNCAHRUFSSSD-XNTDXEJSSA-N
MW210.24 g/mol
LogP2.22
Rot. Bonds3

About (E)-N-prop-2-ynoxy-1-quinolin-4-ylmethanimine

(E)-N-prop-2-ynoxy-1-quinolin-4-ylmethanimine (PubChem CID 162406043) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is (E)-N-prop-2-ynoxy-1-quinolin-4-ylmethanimine.

Molecular Properties

Compound Name(E)-N-prop-2-ynoxy-1-quinolin-4-ylmethanimine
PubChem CID162406043
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name(E)-N-prop-2-ynoxy-1-quinolin-4-ylmethanimine
SMILESC#CCO/N=C/c1ccnc2ccccc12
InChIInChI=1S/C13H10N2O/c1-2-9-16-15-10-11-7-8-14-13-6-4-3-5-12(11)13/h1,3-8,10H,9H2/b15-10+
InChIKeyBKTNCAHRUFSSSD-XNTDXEJSSA-N
XLogP2.22
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-prop-2-ynoxy-1-quinolin-4-ylmethanimine?
The IUPAC name of (E)-N-prop-2-ynoxy-1-quinolin-4-ylmethanimine (CID 162406043) is (E)-N-prop-2-ynoxy-1-quinolin-4-ylmethanimine.
What is the SMILES notation for (E)-N-prop-2-ynoxy-1-quinolin-4-ylmethanimine?
The canonical SMILES for (E)-N-prop-2-ynoxy-1-quinolin-4-ylmethanimine is C#CCO/N=C/c1ccnc2ccccc12.
What is the InChIKey of (E)-N-prop-2-ynoxy-1-quinolin-4-ylmethanimine?
The InChIKey is BKTNCAHRUFSSSD-XNTDXEJSSA-N. The full InChI is InChI=1S/C13H10N2O/c1-2-9-16-15-10-11-7-8-14-13-6-4-3-5-12(11)13/h1,3-8,10H,9H2/b15-10+.
What are the key properties of (E)-N-prop-2-ynoxy-1-quinolin-4-ylmethanimine?
(E)-N-prop-2-ynoxy-1-quinolin-4-ylmethanimine has a molecular weight of 210.24 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-prop-2-ynoxy-1-quinolin-4-ylmethanimine is sourced from PubChem (CID 162406043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).