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

C12H9ClIN3 — CID 151732447

IUPAC1-chloro-3-iodo-1,2-dihydropyrido[2,1-b]quinazolin-11-imine
SMILES[H]/N=c1/c2c(nc3ccccn13)C=C(I)CC2Cl
InChIInChI=1S/C12H9ClIN3/c13-8-5-7(14)6-9-11(8)12(15)17-4-2-1-3-10(17)16-9/h1-4,6,8,15H,5H2/b15-12-
InChIKeyRKVIQLFZMUWBKH-QINSGFPZSA-N
MW357.58 g/mol
LogP3.27
Rot. Bonds

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

1-chloro-3-iodo-1,2-dihydropyrido[2,1-b]quinazolin-11-imine (PubChem CID 151732447) has the molecular formula C12H9ClIN3 and a molecular weight of 357.58 g/mol. Its IUPAC name is 1-chloro-3-iodo-1,2-dihydropyrido[2,1-b]quinazolin-11-imine.

Molecular Properties

Compound Name1-chloro-3-iodo-1,2-dihydropyrido[2,1-b]quinazolin-11-imine
PubChem CID151732447
Molecular FormulaC12H9ClIN3
Molecular Weight357.58 g/mol
Exact Mass356.95
IUPAC Name1-chloro-3-iodo-1,2-dihydropyrido[2,1-b]quinazolin-11-imine
SMILES[H]/N=c1/c2c(nc3ccccn13)C=C(I)CC2Cl
InChIInChI=1S/C12H9ClIN3/c13-8-5-7(14)6-9-11(8)12(15)17-4-2-1-3-10(17)16-9/h1-4,6,8,15H,5H2/b15-12-
InChIKeyRKVIQLFZMUWBKH-QINSGFPZSA-N
XLogP3.27
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.58
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-iodo-1,2-dihydropyrido[2,1-b]quinazolin-11-imine?
The IUPAC name of 1-chloro-3-iodo-1,2-dihydropyrido[2,1-b]quinazolin-11-imine (CID 151732447) is 1-chloro-3-iodo-1,2-dihydropyrido[2,1-b]quinazolin-11-imine.
What is the SMILES notation for 1-chloro-3-iodo-1,2-dihydropyrido[2,1-b]quinazolin-11-imine?
The canonical SMILES for 1-chloro-3-iodo-1,2-dihydropyrido[2,1-b]quinazolin-11-imine is [H]/N=c1/c2c(nc3ccccn13)C=C(I)CC2Cl.
What is the InChIKey of 1-chloro-3-iodo-1,2-dihydropyrido[2,1-b]quinazolin-11-imine?
The InChIKey is RKVIQLFZMUWBKH-QINSGFPZSA-N. The full InChI is InChI=1S/C12H9ClIN3/c13-8-5-7(14)6-9-11(8)12(15)17-4-2-1-3-10(17)16-9/h1-4,6,8,15H,5H2/b15-12-.
What are the key properties of 1-chloro-3-iodo-1,2-dihydropyrido[2,1-b]quinazolin-11-imine?
1-chloro-3-iodo-1,2-dihydropyrido[2,1-b]quinazolin-11-imine has a molecular weight of 357.58 g/mol, XLogP of 3.27, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-iodo-1,2-dihydropyrido[2,1-b]quinazolin-11-imine is sourced from PubChem (CID 151732447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).