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

C12H8FN3 — CID 18992261

IUPAC3-fluoropyrido[2,1-b]quinazolin-11-imine
SMILES[H]/N=c1/c2ccc(F)cc2nc2ccccn12
InChIInChI=1S/C12H8FN3/c13-8-4-5-9-10(7-8)15-11-3-1-2-6-16(11)12(9)14/h1-7,14H/b14-12-
InChIKeyMAOPIGLAVUDRDB-OWBHPGMISA-N
MW213.22 g/mol
LogP2.11
Rot. Bonds

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

3-fluoropyrido[2,1-b]quinazolin-11-imine (PubChem CID 18992261) has the molecular formula C12H8FN3 and a molecular weight of 213.22 g/mol. Its IUPAC name is 3-fluoropyrido[2,1-b]quinazolin-11-imine.

Molecular Properties

Compound Name3-fluoropyrido[2,1-b]quinazolin-11-imine
PubChem CID18992261
Molecular FormulaC12H8FN3
Molecular Weight213.22 g/mol
Exact Mass213.07
IUPAC Name3-fluoropyrido[2,1-b]quinazolin-11-imine
SMILES[H]/N=c1/c2ccc(F)cc2nc2ccccn12
InChIInChI=1S/C12H8FN3/c13-8-4-5-9-10(7-8)15-11-3-1-2-6-16(11)12(9)14/h1-7,14H/b14-12-
InChIKeyMAOPIGLAVUDRDB-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 3-fluoropyrido[2,1-b]quinazolin-11-imine?
The IUPAC name of 3-fluoropyrido[2,1-b]quinazolin-11-imine (CID 18992261) is 3-fluoropyrido[2,1-b]quinazolin-11-imine.
What is the SMILES notation for 3-fluoropyrido[2,1-b]quinazolin-11-imine?
The canonical SMILES for 3-fluoropyrido[2,1-b]quinazolin-11-imine is [H]/N=c1/c2ccc(F)cc2nc2ccccn12.
What is the InChIKey of 3-fluoropyrido[2,1-b]quinazolin-11-imine?
The InChIKey is MAOPIGLAVUDRDB-OWBHPGMISA-N. The full InChI is InChI=1S/C12H8FN3/c13-8-4-5-9-10(7-8)15-11-3-1-2-6-16(11)12(9)14/h1-7,14H/b14-12-.
What are the key properties of 3-fluoropyrido[2,1-b]quinazolin-11-imine?
3-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 3-fluoropyrido[2,1-b]quinazolin-11-imine is sourced from PubChem (CID 18992261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).