2-(2-methylquinolin-8-yl)oxy-1,3,2λ5-benzodioxaphosphole 2-oxide

C16H12NO4P — CID 71407350

IUPAC2-(2-methylquinolin-8-yl)oxy-1,3,2λ5-benzodioxaphosphole 2-oxide
SMILESCc1ccc2cccc(OP3(=O)Oc4ccccc4O3)c2n1
InChIInChI=1S/C16H12NO4P/c1-11-9-10-12-5-4-8-15(16(12)17-11)21-22(18)19-13-6-2-3-7-14(13)20-22/h2-10H,1H3
InChIKeyYIGDGZXICAOXGK-UHFFFAOYSA-N
MW313.25 g/mol
LogP4.50
Rot. Bonds2

About 2-(2-methylquinolin-8-yl)oxy-1,3,2λ5-benzodioxaphosphole 2-oxide

2-(2-methylquinolin-8-yl)oxy-1,3,2λ5-benzodioxaphosphole 2-oxide (PubChem CID 71407350) has the molecular formula C16H12NO4P and a molecular weight of 313.25 g/mol. Its IUPAC name is 2-(2-methylquinolin-8-yl)oxy-1,3,2λ5-benzodioxaphosphole 2-oxide.

Molecular Properties

Compound Name2-(2-methylquinolin-8-yl)oxy-1,3,2λ5-benzodioxaphosphole 2-oxide
PubChem CID71407350
Molecular FormulaC16H12NO4P
Molecular Weight313.25 g/mol
Exact Mass313.05
IUPAC Name2-(2-methylquinolin-8-yl)oxy-1,3,2λ5-benzodioxaphosphole 2-oxide
SMILESCc1ccc2cccc(OP3(=O)Oc4ccccc4O3)c2n1
InChIInChI=1S/C16H12NO4P/c1-11-9-10-12-5-4-8-15(16(12)17-11)21-22(18)19-13-6-2-3-7-14(13)20-22/h2-10H,1H3
InChIKeyYIGDGZXICAOXGK-UHFFFAOYSA-N
XLogP4.50
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.25
LogP ≤ 54.50
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

CID 20665518
CID 20665518
tris[(2-methylquinolin-8-yl)oxy]gallane
CID 59002282
(2-methylquinolin-8-yl) 2-methylbenzenesulfonate
CID 2280505
2-methyl-8-pyridin-2-yloxyquinoline
CID 23934989
3-(2-methylquinolin-8-yl)oxycyclobutan-1-one
CID 66368066
(2S)-2-(2-methylquinolin-8-yl)oxypropanoic acid
CID 30048247
1-(2-methylquinolin-8-yl)oxybutan-2-one
CID 62040414
iron(3+);tris(2-methylquinolin-8-olate)
CID 139058244
1-[2-[2-(2-methylquinolin-8-yl)oxyethoxy]phenyl]ethanone
CID 2994272
(2-methylquinolin-8-yl) 2-fluorobenzenesulfonate
CID 31391529
(2-methylquinolin-8-yl) 2-bromobenzenesulfonate
CID 31391550
2-bromo-5-(2-methylquinolin-8-yl)oxy-1,3,4-thiadiazole
CID 64623654

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylquinolin-8-yl)oxy-1,3,2λ5-benzodioxaphosphole 2-oxide?
The IUPAC name of 2-(2-methylquinolin-8-yl)oxy-1,3,2λ5-benzodioxaphosphole 2-oxide (CID 71407350) is 2-(2-methylquinolin-8-yl)oxy-1,3,2λ5-benzodioxaphosphole 2-oxide.
What is the SMILES notation for 2-(2-methylquinolin-8-yl)oxy-1,3,2λ5-benzodioxaphosphole 2-oxide?
The canonical SMILES for 2-(2-methylquinolin-8-yl)oxy-1,3,2λ5-benzodioxaphosphole 2-oxide is Cc1ccc2cccc(OP3(=O)Oc4ccccc4O3)c2n1.
What is the InChIKey of 2-(2-methylquinolin-8-yl)oxy-1,3,2λ5-benzodioxaphosphole 2-oxide?
The InChIKey is YIGDGZXICAOXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12NO4P/c1-11-9-10-12-5-4-8-15(16(12)17-11)21-22(18)19-13-6-2-3-7-14(13)20-22/h2-10H,1H3.
What are the key properties of 2-(2-methylquinolin-8-yl)oxy-1,3,2λ5-benzodioxaphosphole 2-oxide?
2-(2-methylquinolin-8-yl)oxy-1,3,2λ5-benzodioxaphosphole 2-oxide has a molecular weight of 313.25 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylquinolin-8-yl)oxy-1,3,2λ5-benzodioxaphosphole 2-oxide is sourced from PubChem (CID 71407350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).