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

C12H8FN3 — CID 18992192

IUPAC1-fluoropyrido[2,1-b]quinazolin-11-imine
SMILES[H]/N=c1/c2c(F)cccc2nc2ccccn12
InChIInChI=1S/C12H8FN3/c13-8-4-3-5-9-11(8)12(14)16-7-2-1-6-10(16)15-9/h1-7,14H/b14-12-
InChIKeyIWUMZEJFIWCNLY-OWBHPGMISA-N
MW213.22 g/mol
LogP2.11
Rot. Bonds

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

1-fluoropyrido[2,1-b]quinazolin-11-imine (PubChem CID 18992192) has the molecular formula C12H8FN3 and a molecular weight of 213.22 g/mol. Its IUPAC name is 1-fluoropyrido[2,1-b]quinazolin-11-imine.

Molecular Properties

Compound Name1-fluoropyrido[2,1-b]quinazolin-11-imine
PubChem CID18992192
Molecular FormulaC12H8FN3
Molecular Weight213.22 g/mol
Exact Mass213.07
IUPAC Name1-fluoropyrido[2,1-b]quinazolin-11-imine
SMILES[H]/N=c1/c2c(F)cccc2nc2ccccn12
InChIInChI=1S/C12H8FN3/c13-8-4-3-5-9-11(8)12(14)16-7-2-1-6-10(16)15-9/h1-7,14H/b14-12-
InChIKeyIWUMZEJFIWCNLY-OWBHPGMISA-N
XLogP2.11
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.22
LogP ≤ 52.11
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 1-fluoropyrido[2,1-b]quinazolin-11-imine?
The IUPAC name of 1-fluoropyrido[2,1-b]quinazolin-11-imine (CID 18992192) is 1-fluoropyrido[2,1-b]quinazolin-11-imine.
What is the SMILES notation for 1-fluoropyrido[2,1-b]quinazolin-11-imine?
The canonical SMILES for 1-fluoropyrido[2,1-b]quinazolin-11-imine is [H]/N=c1/c2c(F)cccc2nc2ccccn12.
What is the InChIKey of 1-fluoropyrido[2,1-b]quinazolin-11-imine?
The InChIKey is IWUMZEJFIWCNLY-OWBHPGMISA-N. The full InChI is InChI=1S/C12H8FN3/c13-8-4-3-5-9-11(8)12(14)16-7-2-1-6-10(16)15-9/h1-7,14H/b14-12-.
What are the key properties of 1-fluoropyrido[2,1-b]quinazolin-11-imine?
1-fluoropyrido[2,1-b]quinazolin-11-imine has a molecular weight of 213.22 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoropyrido[2,1-b]quinazolin-11-imine is sourced from PubChem (CID 18992192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).