4-chloro-7-(3-chloroprop-1-enyl)quinazoline

C11H8Cl2N2 — CID 169478006

IUPAC4-chloro-7-(3-chloroprop-1-enyl)quinazoline
SMILESClCC=Cc1ccc2c(Cl)ncnc2c1
InChIInChI=1S/C11H8Cl2N2/c12-5-1-2-8-3-4-9-10(6-8)14-7-15-11(9)13/h1-4,6-7H,5H2
InChIKeyHBCWSWRKTGOLIA-UHFFFAOYSA-N
MW239.11 g/mol
LogP3.54
Rot. Bonds2

About 4-chloro-7-(3-chloroprop-1-enyl)quinazoline

4-chloro-7-(3-chloroprop-1-enyl)quinazoline (PubChem CID 169478006) has the molecular formula C11H8Cl2N2 and a molecular weight of 239.11 g/mol. Its IUPAC name is 4-chloro-7-(3-chloroprop-1-enyl)quinazoline.

Molecular Properties

Compound Name4-chloro-7-(3-chloroprop-1-enyl)quinazoline
PubChem CID169478006
Molecular FormulaC11H8Cl2N2
Molecular Weight239.11 g/mol
Exact Mass238.01
IUPAC Name4-chloro-7-(3-chloroprop-1-enyl)quinazoline
SMILESClCC=Cc1ccc2c(Cl)ncnc2c1
InChIInChI=1S/C11H8Cl2N2/c12-5-1-2-8-3-4-9-10(6-8)14-7-15-11(9)13/h1-4,6-7H,5H2
InChIKeyHBCWSWRKTGOLIA-UHFFFAOYSA-N
XLogP3.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.11
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-(3-chloroprop-1-enyl)quinazoline?
The IUPAC name of 4-chloro-7-(3-chloroprop-1-enyl)quinazoline (CID 169478006) is 4-chloro-7-(3-chloroprop-1-enyl)quinazoline.
What is the SMILES notation for 4-chloro-7-(3-chloroprop-1-enyl)quinazoline?
The canonical SMILES for 4-chloro-7-(3-chloroprop-1-enyl)quinazoline is ClCC=Cc1ccc2c(Cl)ncnc2c1.
What is the InChIKey of 4-chloro-7-(3-chloroprop-1-enyl)quinazoline?
The InChIKey is HBCWSWRKTGOLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2/c12-5-1-2-8-3-4-9-10(6-8)14-7-15-11(9)13/h1-4,6-7H,5H2.
What are the key properties of 4-chloro-7-(3-chloroprop-1-enyl)quinazoline?
4-chloro-7-(3-chloroprop-1-enyl)quinazoline has a molecular weight of 239.11 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-(3-chloroprop-1-enyl)quinazoline is sourced from PubChem (CID 169478006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).