1,3-dichloro-7-fluoropyrido[2,1-b]quinazolin-11-imine

C12H6Cl2FN3 — CID 18992977

IUPAC1,3-dichloro-7-fluoropyrido[2,1-b]quinazolin-11-imine
SMILES[H]/N=c1/c2c(Cl)cc(Cl)cc2nc2cc(F)ccn12
InChIInChI=1S/C12H6Cl2FN3/c13-6-3-8(14)11-9(4-6)17-10-5-7(15)1-2-18(10)12(11)16/h1-5,16H/b16-12-
InChIKeyHCEDFUCMNMMTDH-VBKFSLOCSA-N
MW282.11 g/mol
LogP3.41
Rot. Bonds

About 1,3-dichloro-7-fluoropyrido[2,1-b]quinazolin-11-imine

1,3-dichloro-7-fluoropyrido[2,1-b]quinazolin-11-imine (PubChem CID 18992977) has the molecular formula C12H6Cl2FN3 and a molecular weight of 282.11 g/mol. Its IUPAC name is 1,3-dichloro-7-fluoropyrido[2,1-b]quinazolin-11-imine.

Molecular Properties

Compound Name1,3-dichloro-7-fluoropyrido[2,1-b]quinazolin-11-imine
PubChem CID18992977
Molecular FormulaC12H6Cl2FN3
Molecular Weight282.11 g/mol
Exact Mass280.99
IUPAC Name1,3-dichloro-7-fluoropyrido[2,1-b]quinazolin-11-imine
SMILES[H]/N=c1/c2c(Cl)cc(Cl)cc2nc2cc(F)ccn12
InChIInChI=1S/C12H6Cl2FN3/c13-6-3-8(14)11-9(4-6)17-10-5-7(15)1-2-18(10)12(11)16/h1-5,16H/b16-12-
InChIKeyHCEDFUCMNMMTDH-VBKFSLOCSA-N
XLogP3.41
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.11
LogP ≤ 53.41
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 1,3-dichloro-7-fluoropyrido[2,1-b]quinazolin-11-imine?
The IUPAC name of 1,3-dichloro-7-fluoropyrido[2,1-b]quinazolin-11-imine (CID 18992977) is 1,3-dichloro-7-fluoropyrido[2,1-b]quinazolin-11-imine.
What is the SMILES notation for 1,3-dichloro-7-fluoropyrido[2,1-b]quinazolin-11-imine?
The canonical SMILES for 1,3-dichloro-7-fluoropyrido[2,1-b]quinazolin-11-imine is [H]/N=c1/c2c(Cl)cc(Cl)cc2nc2cc(F)ccn12.
What is the InChIKey of 1,3-dichloro-7-fluoropyrido[2,1-b]quinazolin-11-imine?
The InChIKey is HCEDFUCMNMMTDH-VBKFSLOCSA-N. The full InChI is InChI=1S/C12H6Cl2FN3/c13-6-3-8(14)11-9(4-6)17-10-5-7(15)1-2-18(10)12(11)16/h1-5,16H/b16-12-.
What are the key properties of 1,3-dichloro-7-fluoropyrido[2,1-b]quinazolin-11-imine?
1,3-dichloro-7-fluoropyrido[2,1-b]quinazolin-11-imine has a molecular weight of 282.11 g/mol, XLogP of 3.41, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-7-fluoropyrido[2,1-b]quinazolin-11-imine is sourced from PubChem (CID 18992977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).