[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]phosphane

C16H15N2O3P — CID 155331458

IUPAC[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]phosphane
SMILESCOc1cc2nccc(Oc3ccc(P)nc3)c2cc1OC
InChIInChI=1S/C16H15N2O3P/c1-19-14-7-11-12(8-15(14)20-2)17-6-5-13(11)21-10-3-4-16(22)18-9-10/h3-9H,22H2,1-2H3
InChIKeyNITBBJMTSRHQAR-UHFFFAOYSA-N
MW314.28 g/mol
LogP2.94
Rot. Bonds4

About [5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]phosphane

[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]phosphane (PubChem CID 155331458) has the molecular formula C16H15N2O3P and a molecular weight of 314.28 g/mol. Its IUPAC name is [5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]phosphane.

Molecular Properties

Compound Name[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]phosphane
PubChem CID155331458
Molecular FormulaC16H15N2O3P
Molecular Weight314.28 g/mol
Exact Mass314.08
IUPAC Name[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]phosphane
SMILESCOc1cc2nccc(Oc3ccc(P)nc3)c2cc1OC
InChIInChI=1S/C16H15N2O3P/c1-19-14-7-11-12(8-15(14)20-2)17-6-5-13(11)21-10-3-4-16(22)18-9-10/h3-9H,22H2,1-2H3
InChIKeyNITBBJMTSRHQAR-UHFFFAOYSA-N
XLogP2.94
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.28
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methane;4,6,7-trimethoxyquinoline
CID 157066291
[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-imino-methyl-oxo-λ6-sulfane
CID 166561930
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride
CID 118991674
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;methanethiol
CID 165143775
6,7-dimethoxy-4-quinolin-3-yloxyquinoline
CID 23078609
N-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]methyl]formamide
CID 146574108
4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid
CID 22132796
4-(4-cyclopropylphenoxy)-6,7-dimethoxyquinoline
CID 160640233
2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;ethane
CID 142885243
(6,7-dimethoxyquinolin-4-yl)phosphane
CID 118485424
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxybenzaldehyde
CID 23078274

Frequently Asked Questions

What is the IUPAC name of [5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]phosphane?
The IUPAC name of [5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]phosphane (CID 155331458) is [5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]phosphane.
What is the SMILES notation for [5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]phosphane?
The canonical SMILES for [5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]phosphane is COc1cc2nccc(Oc3ccc(P)nc3)c2cc1OC.
What is the InChIKey of [5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]phosphane?
The InChIKey is NITBBJMTSRHQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N2O3P/c1-19-14-7-11-12(8-15(14)20-2)17-6-5-13(11)21-10-3-4-16(22)18-9-10/h3-9H,22H2,1-2H3.
What are the key properties of [5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]phosphane?
[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]phosphane has a molecular weight of 314.28 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]phosphane is sourced from PubChem (CID 155331458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).