quinolin-8-ylmethylphosphonic acid

C10H10NO3P — CID 12629202

IUPACquinolin-8-ylmethylphosphonic acid
SMILESO=P(O)(O)Cc1cccc2cccnc12
InChIInChI=1S/C10H10NO3P/c12-15(13,14)7-9-4-1-3-8-5-2-6-11-10(8)9/h1-6H,7H2,(H2,12,13,14)
InChIKeyJEAIVEQRSHHAIR-UHFFFAOYSA-N
MW223.17 g/mol
LogP1.91
Rot. Bonds2

About quinolin-8-ylmethylphosphonic acid

quinolin-8-ylmethylphosphonic acid (PubChem CID 12629202) has the molecular formula C10H10NO3P and a molecular weight of 223.17 g/mol. Its IUPAC name is quinolin-8-ylmethylphosphonic acid.

Molecular Properties

Compound Namequinolin-8-ylmethylphosphonic acid
PubChem CID12629202
Molecular FormulaC10H10NO3P
Molecular Weight223.17 g/mol
Exact Mass223.04
IUPAC Namequinolin-8-ylmethylphosphonic acid
SMILESO=P(O)(O)Cc1cccc2cccnc12
InChIInChI=1S/C10H10NO3P/c12-15(13,14)7-9-4-1-3-8-5-2-6-11-10(8)9/h1-6H,7H2,(H2,12,13,14)
InChIKeyJEAIVEQRSHHAIR-UHFFFAOYSA-N
XLogP1.91
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.17
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

aluminum quinolin-8-ylmethanol
CID 23124809
quinolin-8-ylmethanamine;hydrochloride
CID 50988699
8-(2-methylprop-2-enyl)quinoline
CID 142452195
1-phenyl-2-quinolin-8-ylethanone
CID 171934139
1-(2-quinolin-8-ylethyl)pyrrole-2-carboxylic acid
CID 81423377
6-quinolin-8-ylhexan-3-one
CID 132571149
N-methyl-2-quinolin-8-ylethanamine
CID 62549686
methyl N-(2-quinolin-8-ylethyl)carbamate
CID 115577084
2-[2-oxo-2-(2-quinolin-8-ylethylamino)ethoxy]-N-(2-quinolin-8-ylethyl)acetamide
CID 78847250
ethyl 2-quinolin-8-ylacetate
CID 52562898
bis(N-methyl-1-quinolin-8-ylmethanamine);oxalic acid
CID 121229149
2-(quinolin-8-ylmethylamino)acetic acid
CID 43135065

Frequently Asked Questions

What is the IUPAC name of quinolin-8-ylmethylphosphonic acid?
The IUPAC name of quinolin-8-ylmethylphosphonic acid (CID 12629202) is quinolin-8-ylmethylphosphonic acid.
What is the SMILES notation for quinolin-8-ylmethylphosphonic acid?
The canonical SMILES for quinolin-8-ylmethylphosphonic acid is O=P(O)(O)Cc1cccc2cccnc12.
What is the InChIKey of quinolin-8-ylmethylphosphonic acid?
The InChIKey is JEAIVEQRSHHAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10NO3P/c12-15(13,14)7-9-4-1-3-8-5-2-6-11-10(8)9/h1-6H,7H2,(H2,12,13,14).
What are the key properties of quinolin-8-ylmethylphosphonic acid?
quinolin-8-ylmethylphosphonic acid has a molecular weight of 223.17 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-8-ylmethylphosphonic acid is sourced from PubChem (CID 12629202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).