4-(2-fluorophenyl)-6-iodo-1H-quinazolin-2-one

C14H8FIN2O — CID 14894751

IUPAC4-(2-fluorophenyl)-6-iodo-1H-quinazolin-2-one
SMILESO=c1nc(-c2ccccc2F)c2cc(I)ccc2[nH]1
InChIInChI=1S/C14H8FIN2O/c15-11-4-2-1-3-9(11)13-10-7-8(16)5-6-12(10)17-14(19)18-13/h1-7H,(H,17,18,19)
InChIKeyMMIPTKIMLKLAQD-UHFFFAOYSA-N
MW366.13 g/mol
LogP3.33
Rot. Bonds1

About 4-(2-fluorophenyl)-6-iodo-1H-quinazolin-2-one

4-(2-fluorophenyl)-6-iodo-1H-quinazolin-2-one (PubChem CID 14894751) has the molecular formula C14H8FIN2O and a molecular weight of 366.13 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-6-iodo-1H-quinazolin-2-one.

Molecular Properties

Compound Name4-(2-fluorophenyl)-6-iodo-1H-quinazolin-2-one
PubChem CID14894751
Molecular FormulaC14H8FIN2O
Molecular Weight366.13 g/mol
Exact Mass365.97
IUPAC Name4-(2-fluorophenyl)-6-iodo-1H-quinazolin-2-one
SMILESO=c1nc(-c2ccccc2F)c2cc(I)ccc2[nH]1
InChIInChI=1S/C14H8FIN2O/c15-11-4-2-1-3-9(11)13-10-7-8(16)5-6-12(10)17-14(19)18-13/h1-7H,(H,17,18,19)
InChIKeyMMIPTKIMLKLAQD-UHFFFAOYSA-N
XLogP3.33
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.13
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-6-iodo-1H-quinazolin-2-one?
The IUPAC name of 4-(2-fluorophenyl)-6-iodo-1H-quinazolin-2-one (CID 14894751) is 4-(2-fluorophenyl)-6-iodo-1H-quinazolin-2-one.
What is the SMILES notation for 4-(2-fluorophenyl)-6-iodo-1H-quinazolin-2-one?
The canonical SMILES for 4-(2-fluorophenyl)-6-iodo-1H-quinazolin-2-one is O=c1nc(-c2ccccc2F)c2cc(I)ccc2[nH]1.
What is the InChIKey of 4-(2-fluorophenyl)-6-iodo-1H-quinazolin-2-one?
The InChIKey is MMIPTKIMLKLAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FIN2O/c15-11-4-2-1-3-9(11)13-10-7-8(16)5-6-12(10)17-14(19)18-13/h1-7H,(H,17,18,19).
What are the key properties of 4-(2-fluorophenyl)-6-iodo-1H-quinazolin-2-one?
4-(2-fluorophenyl)-6-iodo-1H-quinazolin-2-one has a molecular weight of 366.13 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-6-iodo-1H-quinazolin-2-one is sourced from PubChem (CID 14894751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).