(6,7-dimethoxyquinolin-4-yl)phosphane

C11H12NO2P — CID 118485424

IUPAC(6,7-dimethoxyquinolin-4-yl)phosphane
SMILESCOc1cc2nccc(P)c2cc1OC
InChIInChI=1S/C11H12NO2P/c1-13-9-5-7-8(6-10(9)14-2)12-4-3-11(7)15/h3-6H,15H2,1-2H3
InChIKeyROUGLAULRFNZBT-UHFFFAOYSA-N
MW221.20 g/mol
LogP1.75
Rot. Bonds2

About (6,7-dimethoxyquinolin-4-yl)phosphane

(6,7-dimethoxyquinolin-4-yl)phosphane (PubChem CID 118485424) has the molecular formula C11H12NO2P and a molecular weight of 221.20 g/mol. Its IUPAC name is (6,7-dimethoxyquinolin-4-yl)phosphane.

Molecular Properties

Compound Name(6,7-dimethoxyquinolin-4-yl)phosphane
PubChem CID118485424
Molecular FormulaC11H12NO2P
Molecular Weight221.20 g/mol
Exact Mass221.06
IUPAC Name(6,7-dimethoxyquinolin-4-yl)phosphane
SMILESCOc1cc2nccc(P)c2cc1OC
InChIInChI=1S/C11H12NO2P/c1-13-9-5-7-8(6-10(9)14-2)12-4-3-11(7)15/h3-6H,15H2,1-2H3
InChIKeyROUGLAULRFNZBT-UHFFFAOYSA-N
XLogP1.75
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6,7-dimethoxyquinolin-4-yl)phosphane?
The IUPAC name of (6,7-dimethoxyquinolin-4-yl)phosphane (CID 118485424) is (6,7-dimethoxyquinolin-4-yl)phosphane.
What is the SMILES notation for (6,7-dimethoxyquinolin-4-yl)phosphane?
The canonical SMILES for (6,7-dimethoxyquinolin-4-yl)phosphane is COc1cc2nccc(P)c2cc1OC.
What is the InChIKey of (6,7-dimethoxyquinolin-4-yl)phosphane?
The InChIKey is ROUGLAULRFNZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12NO2P/c1-13-9-5-7-8(6-10(9)14-2)12-4-3-11(7)15/h3-6H,15H2,1-2H3.
What are the key properties of (6,7-dimethoxyquinolin-4-yl)phosphane?
(6,7-dimethoxyquinolin-4-yl)phosphane has a molecular weight of 221.20 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dimethoxyquinolin-4-yl)phosphane is sourced from PubChem (CID 118485424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).