(6-fluoro-4-oxo-3H-quinazolin-2-yl)methyl-(hydroxymethyl)phosphinic acid

C10H10FN2O4P — CID 135653898

IUPAC(6-fluoro-4-oxo-3H-quinazolin-2-yl)methyl-(hydroxymethyl)phosphinic acid
SMILESO=c1[nH]c(CP(=O)(O)CO)nc2ccc(F)cc12
InChIInChI=1S/C10H10FN2O4P/c11-6-1-2-8-7(3-6)10(15)13-9(12-8)4-18(16,17)5-14/h1-3,14H,4-5H2,(H,16,17)(H,12,13,15)
InChIKeyCRXMVTPOSKSKHW-UHFFFAOYSA-N
MW272.17 g/mol
LogP0.78
Rot. Bonds3

About (6-fluoro-4-oxo-3H-quinazolin-2-yl)methyl-(hydroxymethyl)phosphinic acid

(6-fluoro-4-oxo-3H-quinazolin-2-yl)methyl-(hydroxymethyl)phosphinic acid (PubChem CID 135653898) has the molecular formula C10H10FN2O4P and a molecular weight of 272.17 g/mol. Its IUPAC name is (6-fluoro-4-oxo-3H-quinazolin-2-yl)methyl-(hydroxymethyl)phosphinic acid.

Molecular Properties

Compound Name(6-fluoro-4-oxo-3H-quinazolin-2-yl)methyl-(hydroxymethyl)phosphinic acid
PubChem CID135653898
Molecular FormulaC10H10FN2O4P
Molecular Weight272.17 g/mol
Exact Mass272.04
IUPAC Name(6-fluoro-4-oxo-3H-quinazolin-2-yl)methyl-(hydroxymethyl)phosphinic acid
SMILESO=c1[nH]c(CP(=O)(O)CO)nc2ccc(F)cc12
InChIInChI=1S/C10H10FN2O4P/c11-6-1-2-8-7(3-6)10(15)13-9(12-8)4-18(16,17)5-14/h1-3,14H,4-5H2,(H,16,17)(H,12,13,15)
InChIKeyCRXMVTPOSKSKHW-UHFFFAOYSA-N
XLogP0.78
TPSA103.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-fluoro-4-oxo-3H-quinazolin-2-yl)methyl-(hydroxymethyl)phosphinic acid?
The IUPAC name of (6-fluoro-4-oxo-3H-quinazolin-2-yl)methyl-(hydroxymethyl)phosphinic acid (CID 135653898) is (6-fluoro-4-oxo-3H-quinazolin-2-yl)methyl-(hydroxymethyl)phosphinic acid.
What is the SMILES notation for (6-fluoro-4-oxo-3H-quinazolin-2-yl)methyl-(hydroxymethyl)phosphinic acid?
The canonical SMILES for (6-fluoro-4-oxo-3H-quinazolin-2-yl)methyl-(hydroxymethyl)phosphinic acid is O=c1[nH]c(CP(=O)(O)CO)nc2ccc(F)cc12.
What is the InChIKey of (6-fluoro-4-oxo-3H-quinazolin-2-yl)methyl-(hydroxymethyl)phosphinic acid?
The InChIKey is CRXMVTPOSKSKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN2O4P/c11-6-1-2-8-7(3-6)10(15)13-9(12-8)4-18(16,17)5-14/h1-3,14H,4-5H2,(H,16,17)(H,12,13,15).
What are the key properties of (6-fluoro-4-oxo-3H-quinazolin-2-yl)methyl-(hydroxymethyl)phosphinic acid?
(6-fluoro-4-oxo-3H-quinazolin-2-yl)methyl-(hydroxymethyl)phosphinic acid has a molecular weight of 272.17 g/mol, XLogP of 0.78, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-4-oxo-3H-quinazolin-2-yl)methyl-(hydroxymethyl)phosphinic acid is sourced from PubChem (CID 135653898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).