(6-methoxyquinolin-2-yl)methylphosphonic acid

C11H12NO4P — CID 67774367

IUPAC(6-methoxyquinolin-2-yl)methylphosphonic acid
SMILESCOc1ccc2nc(CP(=O)(O)O)ccc2c1
InChIInChI=1S/C11H12NO4P/c1-16-10-4-5-11-8(6-10)2-3-9(12-11)7-17(13,14)15/h2-6H,7H2,1H3,(H2,13,14,15)
InChIKeyVFSXPRCYACTMAI-UHFFFAOYSA-N
MW253.19 g/mol
LogP1.92
Rot. Bonds3

About (6-methoxyquinolin-2-yl)methylphosphonic acid

(6-methoxyquinolin-2-yl)methylphosphonic acid (PubChem CID 67774367) has the molecular formula C11H12NO4P and a molecular weight of 253.19 g/mol. Its IUPAC name is (6-methoxyquinolin-2-yl)methylphosphonic acid.

Molecular Properties

Compound Name(6-methoxyquinolin-2-yl)methylphosphonic acid
PubChem CID67774367
Molecular FormulaC11H12NO4P
Molecular Weight253.19 g/mol
Exact Mass253.05
IUPAC Name(6-methoxyquinolin-2-yl)methylphosphonic acid
SMILESCOc1ccc2nc(CP(=O)(O)O)ccc2c1
InChIInChI=1S/C11H12NO4P/c1-16-10-4-5-11-8(6-10)2-3-9(12-11)7-17(13,14)15/h2-6H,7H2,1H3,(H2,13,14,15)
InChIKeyVFSXPRCYACTMAI-UHFFFAOYSA-N
XLogP1.92
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.19
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6-methoxyquinolin-2-yl)methanamine;dihydrochloride
CID 47002728
3-(6-methoxyquinolin-2-yl)-N,N-dimethylpropan-1-amine
CID 23204412
(6-amino-4-methoxy-2-pyridinyl)methylphosphonic acid
CID 19701424
3-(6-methoxyquinolin-2-yl)prop-2-enoic acid
CID 68678260
N-[2-[6-(2-chloro-4-methoxyphenoxy)quinolin-2-yl]ethyl]acetamide
CID 68762927
3-(6-methoxyquinolin-2-yl)prop-2-enamide
CID 175848652
2-butan-2-yl-6-methoxyquinoline
CID 142826325
N-(4-ethoxyphenyl)-6-methoxyquinoline-2-carboxamide
CID 33314007
N-[(2R)-2-hydroxypropyl]-6-methoxy-N-methylquinoline-2-carboxamide
CID 95972027
6-methoxy-2-methylquinazoline
CID 54578216
2-methoxy-6-(3-methoxypentan-3-yl)naphthalene;phosphoric acid
CID 67630530
N-ethyl-N-(2-hydroxyethyl)-6-methoxyquinoline-2-carboxamide
CID 110886561

Frequently Asked Questions

What is the IUPAC name of (6-methoxyquinolin-2-yl)methylphosphonic acid?
The IUPAC name of (6-methoxyquinolin-2-yl)methylphosphonic acid (CID 67774367) is (6-methoxyquinolin-2-yl)methylphosphonic acid.
What is the SMILES notation for (6-methoxyquinolin-2-yl)methylphosphonic acid?
The canonical SMILES for (6-methoxyquinolin-2-yl)methylphosphonic acid is COc1ccc2nc(CP(=O)(O)O)ccc2c1.
What is the InChIKey of (6-methoxyquinolin-2-yl)methylphosphonic acid?
The InChIKey is VFSXPRCYACTMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12NO4P/c1-16-10-4-5-11-8(6-10)2-3-9(12-11)7-17(13,14)15/h2-6H,7H2,1H3,(H2,13,14,15).
What are the key properties of (6-methoxyquinolin-2-yl)methylphosphonic acid?
(6-methoxyquinolin-2-yl)methylphosphonic acid has a molecular weight of 253.19 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxyquinolin-2-yl)methylphosphonic acid is sourced from PubChem (CID 67774367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).