4-chloro-2-(trichloromethyl)quinazoline

C9H4Cl4N2 — CID 618704

IUPAC4-chloro-2-(trichloromethyl)quinazoline
SMILESClc1nc(C(Cl)(Cl)Cl)nc2ccccc12
InChIInChI=1S/C9H4Cl4N2/c10-7-5-3-1-2-4-6(5)14-8(15-7)9(11,12)13/h1-4H
InChIKeyKHWHZIOORKRESZ-UHFFFAOYSA-N
MW281.96 g/mol
LogP4.11
Rot. Bonds

About 4-chloro-2-(trichloromethyl)quinazoline

4-chloro-2-(trichloromethyl)quinazoline (PubChem CID 618704) has the molecular formula C9H4Cl4N2 and a molecular weight of 281.96 g/mol. Its IUPAC name is 4-chloro-2-(trichloromethyl)quinazoline.

Molecular Properties

Compound Name4-chloro-2-(trichloromethyl)quinazoline
PubChem CID618704
Molecular FormulaC9H4Cl4N2
Molecular Weight281.96 g/mol
Exact Mass279.91
IUPAC Name4-chloro-2-(trichloromethyl)quinazoline
SMILESClc1nc(C(Cl)(Cl)Cl)nc2ccccc12
InChIInChI=1S/C9H4Cl4N2/c10-7-5-3-1-2-4-6(5)14-8(15-7)9(11,12)13/h1-4H
InChIKeyKHWHZIOORKRESZ-UHFFFAOYSA-N
XLogP4.11
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.96
LogP ≤ 54.11
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-2-(trichloromethyl)quinazoline?
The IUPAC name of 4-chloro-2-(trichloromethyl)quinazoline (CID 618704) is 4-chloro-2-(trichloromethyl)quinazoline.
What is the SMILES notation for 4-chloro-2-(trichloromethyl)quinazoline?
The canonical SMILES for 4-chloro-2-(trichloromethyl)quinazoline is Clc1nc(C(Cl)(Cl)Cl)nc2ccccc12.
What is the InChIKey of 4-chloro-2-(trichloromethyl)quinazoline?
The InChIKey is KHWHZIOORKRESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl4N2/c10-7-5-3-1-2-4-6(5)14-8(15-7)9(11,12)13/h1-4H.
What are the key properties of 4-chloro-2-(trichloromethyl)quinazoline?
4-chloro-2-(trichloromethyl)quinazoline has a molecular weight of 281.96 g/mol, XLogP of 4.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(trichloromethyl)quinazoline is sourced from PubChem (CID 618704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).