2-fluoro-4-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]phenol

C16H14FN3O3 — CID 23569365

IUPAC2-fluoro-4-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]phenol
SMILESCOc1cc2c(Nc3ccc(O)c(F)c3)ncnc2cc1CO
InChIInChI=1S/C16H14FN3O3/c1-23-15-6-11-13(4-9(15)7-21)18-8-19-16(11)20-10-2-3-14(22)12(17)5-10/h2-6,8,21-22H,7H2,1H3,(H,18,19,20)
InChIKeyOFCIBBYMAXYPBV-UHFFFAOYSA-N
MW315.30 g/mol
LogP2.72
Rot. Bonds4

About 2-fluoro-4-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]phenol

2-fluoro-4-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]phenol (PubChem CID 23569365) has the molecular formula C16H14FN3O3 and a molecular weight of 315.30 g/mol. Its IUPAC name is 2-fluoro-4-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]phenol.

Molecular Properties

Compound Name2-fluoro-4-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]phenol
PubChem CID23569365
Molecular FormulaC16H14FN3O3
Molecular Weight315.30 g/mol
Exact Mass315.10
IUPAC Name2-fluoro-4-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]phenol
SMILESCOc1cc2c(Nc3ccc(O)c(F)c3)ncnc2cc1CO
InChIInChI=1S/C16H14FN3O3/c1-23-15-6-11-13(4-9(15)7-21)18-8-19-16(11)20-10-2-3-14(22)12(17)5-10/h2-6,8,21-22H,7H2,1H3,(H,18,19,20)
InChIKeyOFCIBBYMAXYPBV-UHFFFAOYSA-N
XLogP2.72
TPSA87.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]phenol?
The IUPAC name of 2-fluoro-4-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]phenol (CID 23569365) is 2-fluoro-4-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]phenol.
What is the SMILES notation for 2-fluoro-4-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]phenol?
The canonical SMILES for 2-fluoro-4-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]phenol is COc1cc2c(Nc3ccc(O)c(F)c3)ncnc2cc1CO.
What is the InChIKey of 2-fluoro-4-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]phenol?
The InChIKey is OFCIBBYMAXYPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O3/c1-23-15-6-11-13(4-9(15)7-21)18-8-19-16(11)20-10-2-3-14(22)12(17)5-10/h2-6,8,21-22H,7H2,1H3,(H,18,19,20).
What are the key properties of 2-fluoro-4-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]phenol?
2-fluoro-4-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]phenol has a molecular weight of 315.30 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]phenol is sourced from PubChem (CID 23569365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).