6-chloro-4-(dichloromethyl)-2-phenylquinazoline

C15H9Cl3N2 — CID 617341

IUPAC6-chloro-4-(dichloromethyl)-2-phenylquinazoline
SMILESClc1ccc2nc(-c3ccccc3)nc(C(Cl)Cl)c2c1
InChIInChI=1S/C15H9Cl3N2/c16-10-6-7-12-11(8-10)13(14(17)18)20-15(19-12)9-4-2-1-3-5-9/h1-8,14H
InChIKeyXVODBBSKFFGRQI-UHFFFAOYSA-N
MW323.61 g/mol
LogP5.43
Rot. Bonds2

About 6-chloro-4-(dichloromethyl)-2-phenylquinazoline

6-chloro-4-(dichloromethyl)-2-phenylquinazoline (PubChem CID 617341) has the molecular formula C15H9Cl3N2 and a molecular weight of 323.61 g/mol. Its IUPAC name is 6-chloro-4-(dichloromethyl)-2-phenylquinazoline.

Molecular Properties

Compound Name6-chloro-4-(dichloromethyl)-2-phenylquinazoline
PubChem CID617341
Molecular FormulaC15H9Cl3N2
Molecular Weight323.61 g/mol
Exact Mass321.98
IUPAC Name6-chloro-4-(dichloromethyl)-2-phenylquinazoline
SMILESClc1ccc2nc(-c3ccccc3)nc(C(Cl)Cl)c2c1
InChIInChI=1S/C15H9Cl3N2/c16-10-6-7-12-11(8-10)13(14(17)18)20-15(19-12)9-4-2-1-3-5-9/h1-8,14H
InChIKeyXVODBBSKFFGRQI-UHFFFAOYSA-N
XLogP5.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.61
LogP ≤ 55.43
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 6-chloro-4-(dichloromethyl)-2-phenylquinazoline?
The IUPAC name of 6-chloro-4-(dichloromethyl)-2-phenylquinazoline (CID 617341) is 6-chloro-4-(dichloromethyl)-2-phenylquinazoline.
What is the SMILES notation for 6-chloro-4-(dichloromethyl)-2-phenylquinazoline?
The canonical SMILES for 6-chloro-4-(dichloromethyl)-2-phenylquinazoline is Clc1ccc2nc(-c3ccccc3)nc(C(Cl)Cl)c2c1.
What is the InChIKey of 6-chloro-4-(dichloromethyl)-2-phenylquinazoline?
The InChIKey is XVODBBSKFFGRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl3N2/c16-10-6-7-12-11(8-10)13(14(17)18)20-15(19-12)9-4-2-1-3-5-9/h1-8,14H.
What are the key properties of 6-chloro-4-(dichloromethyl)-2-phenylquinazoline?
6-chloro-4-(dichloromethyl)-2-phenylquinazoline has a molecular weight of 323.61 g/mol, XLogP of 5.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(dichloromethyl)-2-phenylquinazoline is sourced from PubChem (CID 617341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).