3-bromo-1-fluoropyrido[2,1-b]quinazolin-11-imine

C12H7BrFN3 — CID 18992263

IUPAC3-bromo-1-fluoropyrido[2,1-b]quinazolin-11-imine
SMILES[H]/N=c1/c2c(F)cc(Br)cc2nc2ccccn12
InChIInChI=1S/C12H7BrFN3/c13-7-5-8(14)11-9(6-7)16-10-3-1-2-4-17(10)12(11)15/h1-6,15H/b15-12-
InChIKeyYJWJBXFTTRJTEL-QINSGFPZSA-N
MW292.11 g/mol
LogP2.87
Rot. Bonds

About 3-bromo-1-fluoropyrido[2,1-b]quinazolin-11-imine

3-bromo-1-fluoropyrido[2,1-b]quinazolin-11-imine (PubChem CID 18992263) has the molecular formula C12H7BrFN3 and a molecular weight of 292.11 g/mol. Its IUPAC name is 3-bromo-1-fluoropyrido[2,1-b]quinazolin-11-imine.

Molecular Properties

Compound Name3-bromo-1-fluoropyrido[2,1-b]quinazolin-11-imine
PubChem CID18992263
Molecular FormulaC12H7BrFN3
Molecular Weight292.11 g/mol
Exact Mass290.98
IUPAC Name3-bromo-1-fluoropyrido[2,1-b]quinazolin-11-imine
SMILES[H]/N=c1/c2c(F)cc(Br)cc2nc2ccccn12
InChIInChI=1S/C12H7BrFN3/c13-7-5-8(14)11-9(6-7)16-10-3-1-2-4-17(10)12(11)15/h1-6,15H/b15-12-
InChIKeyYJWJBXFTTRJTEL-QINSGFPZSA-N
XLogP2.87
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.11
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-fluoropyrido[2,1-b]quinazolin-11-imine?
The IUPAC name of 3-bromo-1-fluoropyrido[2,1-b]quinazolin-11-imine (CID 18992263) is 3-bromo-1-fluoropyrido[2,1-b]quinazolin-11-imine.
What is the SMILES notation for 3-bromo-1-fluoropyrido[2,1-b]quinazolin-11-imine?
The canonical SMILES for 3-bromo-1-fluoropyrido[2,1-b]quinazolin-11-imine is [H]/N=c1/c2c(F)cc(Br)cc2nc2ccccn12.
What is the InChIKey of 3-bromo-1-fluoropyrido[2,1-b]quinazolin-11-imine?
The InChIKey is YJWJBXFTTRJTEL-QINSGFPZSA-N. The full InChI is InChI=1S/C12H7BrFN3/c13-7-5-8(14)11-9(6-7)16-10-3-1-2-4-17(10)12(11)15/h1-6,15H/b15-12-.
What are the key properties of 3-bromo-1-fluoropyrido[2,1-b]quinazolin-11-imine?
3-bromo-1-fluoropyrido[2,1-b]quinazolin-11-imine has a molecular weight of 292.11 g/mol, XLogP of 2.87, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-fluoropyrido[2,1-b]quinazolin-11-imine is sourced from PubChem (CID 18992263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).