1-ethyl-3-fluorobenzo[f]quinazoline

C14H11FN2 — CID 145261461

IUPAC1-ethyl-3-fluorobenzo[f]quinazoline
SMILESCCc1nc(F)nc2ccc3ccccc3c12
InChIInChI=1S/C14H11FN2/c1-2-11-13-10-6-4-3-5-9(10)7-8-12(13)17-14(15)16-11/h3-8H,2H2,1H3
InChIKeyRAOPVHAXMQJJJB-UHFFFAOYSA-N
MW226.25 g/mol
LogP3.48
Rot. Bonds1

About 1-ethyl-3-fluorobenzo[f]quinazoline

1-ethyl-3-fluorobenzo[f]quinazoline (PubChem CID 145261461) has the molecular formula C14H11FN2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 1-ethyl-3-fluorobenzo[f]quinazoline.

Molecular Properties

Compound Name1-ethyl-3-fluorobenzo[f]quinazoline
PubChem CID145261461
Molecular FormulaC14H11FN2
Molecular Weight226.25 g/mol
Exact Mass226.09
IUPAC Name1-ethyl-3-fluorobenzo[f]quinazoline
SMILESCCc1nc(F)nc2ccc3ccccc3c12
InChIInChI=1S/C14H11FN2/c1-2-11-13-10-6-4-3-5-9(10)7-8-12(13)17-14(15)16-11/h3-8H,2H2,1H3
InChIKeyRAOPVHAXMQJJJB-UHFFFAOYSA-N
XLogP3.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-fluorobenzo[f]quinazoline?
The IUPAC name of 1-ethyl-3-fluorobenzo[f]quinazoline (CID 145261461) is 1-ethyl-3-fluorobenzo[f]quinazoline.
What is the SMILES notation for 1-ethyl-3-fluorobenzo[f]quinazoline?
The canonical SMILES for 1-ethyl-3-fluorobenzo[f]quinazoline is CCc1nc(F)nc2ccc3ccccc3c12.
What is the InChIKey of 1-ethyl-3-fluorobenzo[f]quinazoline?
The InChIKey is RAOPVHAXMQJJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2/c1-2-11-13-10-6-4-3-5-9(10)7-8-12(13)17-14(15)16-11/h3-8H,2H2,1H3.
What are the key properties of 1-ethyl-3-fluorobenzo[f]quinazoline?
1-ethyl-3-fluorobenzo[f]quinazoline has a molecular weight of 226.25 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-fluorobenzo[f]quinazoline is sourced from PubChem (CID 145261461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).