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

C12H7ClFN3 — CID 18992901

IUPAC1-chloro-3-fluoropyrido[2,1-b]quinazolin-11-imine
SMILES[H]/N=c1/c2c(Cl)cc(F)cc2nc2ccccn12
InChIInChI=1S/C12H7ClFN3/c13-8-5-7(14)6-9-11(8)12(15)17-4-2-1-3-10(17)16-9/h1-6,15H/b15-12-
InChIKeyWLKKORCRWQNIRJ-QINSGFPZSA-N
MW247.66 g/mol
LogP2.76
Rot. Bonds

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

1-chloro-3-fluoropyrido[2,1-b]quinazolin-11-imine (PubChem CID 18992901) has the molecular formula C12H7ClFN3 and a molecular weight of 247.66 g/mol. Its IUPAC name is 1-chloro-3-fluoropyrido[2,1-b]quinazolin-11-imine.

Molecular Properties

Compound Name1-chloro-3-fluoropyrido[2,1-b]quinazolin-11-imine
PubChem CID18992901
Molecular FormulaC12H7ClFN3
Molecular Weight247.66 g/mol
Exact Mass247.03
IUPAC Name1-chloro-3-fluoropyrido[2,1-b]quinazolin-11-imine
SMILES[H]/N=c1/c2c(Cl)cc(F)cc2nc2ccccn12
InChIInChI=1S/C12H7ClFN3/c13-8-5-7(14)6-9-11(8)12(15)17-4-2-1-3-10(17)16-9/h1-6,15H/b15-12-
InChIKeyWLKKORCRWQNIRJ-QINSGFPZSA-N
XLogP2.76
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.66
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-chloro-3-fluoropyrido[2,1-b]quinazolin-11-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline
CID 18992275
3-[1-(2-Chloro-phenyl)-meth-(E)-ylidene]-1,2,3,9-tetrahydro-pyrrolo[2,1-b]quinazoline
CID 44391171
3-[1-(2-Chloro-phenyl)-meth-(E)-ylidene]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-(9Z)-ylideneamine
CID 44391247
(3E)-3-[(2-chloro-4-fluorophenyl)methylidene]-2,9-dihydro-1H-pyrrolo[2,1-b]quinazoline
CID 44391268
3-Chloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
CID 10243146
1-chloro-12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline
CID 46905531
1-Chloro-6,7,8,9,10,12-hexahydro-azepino[2,1-b]quinazoline
CID 15337793
3-Chloro-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-(12Z)-ylideneamine
CID 15337805
3-Chloro-2-methyl-N-(1-(2-methyl-1-propenyl)-2-pyrrolidinylidene)benzenamine
CID 216552
5-Bromo-1-[3-chloro-2-(difluoromethyl)phenyl]pyridin-2-imine
CID 18439289
1-Fluoropyrido[2,1-b]quinazolin-11-imine
CID 18992192
3-Fluoropyrido[2,1-b]quinazolin-11-imine
CID 18992261

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-fluoropyrido[2,1-b]quinazolin-11-imine?
The IUPAC name of 1-chloro-3-fluoropyrido[2,1-b]quinazolin-11-imine (CID 18992901) is 1-chloro-3-fluoropyrido[2,1-b]quinazolin-11-imine.
What is the SMILES notation for 1-chloro-3-fluoropyrido[2,1-b]quinazolin-11-imine?
The canonical SMILES for 1-chloro-3-fluoropyrido[2,1-b]quinazolin-11-imine is [H]/N=c1/c2c(Cl)cc(F)cc2nc2ccccn12.
What is the InChIKey of 1-chloro-3-fluoropyrido[2,1-b]quinazolin-11-imine?
The InChIKey is WLKKORCRWQNIRJ-QINSGFPZSA-N. The full InChI is InChI=1S/C12H7ClFN3/c13-8-5-7(14)6-9-11(8)12(15)17-4-2-1-3-10(17)16-9/h1-6,15H/b15-12-.
What are the key properties of 1-chloro-3-fluoropyrido[2,1-b]quinazolin-11-imine?
1-chloro-3-fluoropyrido[2,1-b]quinazolin-11-imine has a molecular weight of 247.66 g/mol, XLogP of 2.76, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-fluoropyrido[2,1-b]quinazolin-11-imine is sourced from PubChem (CID 18992901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).