4-(dichloromethyl)-2-(4-methylphenyl)quinazoline

C16H12Cl2N2 — CID 833065

IUPAC4-(dichloromethyl)-2-(4-methylphenyl)quinazoline
SMILESCc1ccc(-c2nc(C(Cl)Cl)c3ccccc3n2)cc1
InChIInChI=1S/C16H12Cl2N2/c1-10-6-8-11(9-7-10)16-19-13-5-3-2-4-12(13)14(20-16)15(17)18/h2-9,15H,1H3
InChIKeyOYMZSGKOYWWZDC-UHFFFAOYSA-N
MW303.19 g/mol
LogP5.08
Rot. Bonds2

About 4-(dichloromethyl)-2-(4-methylphenyl)quinazoline

4-(dichloromethyl)-2-(4-methylphenyl)quinazoline (PubChem CID 833065) has the molecular formula C16H12Cl2N2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 4-(dichloromethyl)-2-(4-methylphenyl)quinazoline.

Molecular Properties

Compound Name4-(dichloromethyl)-2-(4-methylphenyl)quinazoline
PubChem CID833065
Molecular FormulaC16H12Cl2N2
Molecular Weight303.19 g/mol
Exact Mass302.04
IUPAC Name4-(dichloromethyl)-2-(4-methylphenyl)quinazoline
SMILESCc1ccc(-c2nc(C(Cl)Cl)c3ccccc3n2)cc1
InChIInChI=1S/C16H12Cl2N2/c1-10-6-8-11(9-7-10)16-19-13-5-3-2-4-12(13)14(20-16)15(17)18/h2-9,15H,1H3
InChIKeyOYMZSGKOYWWZDC-UHFFFAOYSA-N
XLogP5.08
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.19
LogP ≤ 55.08
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-(dichloromethyl)-2-(4-methylphenyl)quinazoline?
The IUPAC name of 4-(dichloromethyl)-2-(4-methylphenyl)quinazoline (CID 833065) is 4-(dichloromethyl)-2-(4-methylphenyl)quinazoline.
What is the SMILES notation for 4-(dichloromethyl)-2-(4-methylphenyl)quinazoline?
The canonical SMILES for 4-(dichloromethyl)-2-(4-methylphenyl)quinazoline is Cc1ccc(-c2nc(C(Cl)Cl)c3ccccc3n2)cc1.
What is the InChIKey of 4-(dichloromethyl)-2-(4-methylphenyl)quinazoline?
The InChIKey is OYMZSGKOYWWZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2/c1-10-6-8-11(9-7-10)16-19-13-5-3-2-4-12(13)14(20-16)15(17)18/h2-9,15H,1H3.
What are the key properties of 4-(dichloromethyl)-2-(4-methylphenyl)quinazoline?
4-(dichloromethyl)-2-(4-methylphenyl)quinazoline has a molecular weight of 303.19 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dichloromethyl)-2-(4-methylphenyl)quinazoline is sourced from PubChem (CID 833065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).