4-chloro-2-(2-chloroethyl)-6,7-dimethoxyquinazoline

C12H12Cl2N2O2 — CID 90236933

IUPAC4-chloro-2-(2-chloroethyl)-6,7-dimethoxyquinazoline
SMILESCOc1cc2nc(CCCl)nc(Cl)c2cc1OC
InChIInChI=1S/C12H12Cl2N2O2/c1-17-9-5-7-8(6-10(9)18-2)15-11(3-4-13)16-12(7)14/h5-6H,3-4H2,1-2H3
InChIKeyVTQHVQIGFZBZFE-UHFFFAOYSA-N
MW287.15 g/mol
LogP3.08
Rot. Bonds4

About 4-chloro-2-(2-chloroethyl)-6,7-dimethoxyquinazoline

4-chloro-2-(2-chloroethyl)-6,7-dimethoxyquinazoline (PubChem CID 90236933) has the molecular formula C12H12Cl2N2O2 and a molecular weight of 287.15 g/mol. Its IUPAC name is 4-chloro-2-(2-chloroethyl)-6,7-dimethoxyquinazoline.

Molecular Properties

Compound Name4-chloro-2-(2-chloroethyl)-6,7-dimethoxyquinazoline
PubChem CID90236933
Molecular FormulaC12H12Cl2N2O2
Molecular Weight287.15 g/mol
Exact Mass286.03
IUPAC Name4-chloro-2-(2-chloroethyl)-6,7-dimethoxyquinazoline
SMILESCOc1cc2nc(CCCl)nc(Cl)c2cc1OC
InChIInChI=1S/C12H12Cl2N2O2/c1-17-9-5-7-8(6-10(9)18-2)15-11(3-4-13)16-12(7)14/h5-6H,3-4H2,1-2H3
InChIKeyVTQHVQIGFZBZFE-UHFFFAOYSA-N
XLogP3.08
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2-chloroethyl)-6,7-dimethoxyquinazoline?
The IUPAC name of 4-chloro-2-(2-chloroethyl)-6,7-dimethoxyquinazoline (CID 90236933) is 4-chloro-2-(2-chloroethyl)-6,7-dimethoxyquinazoline.
What is the SMILES notation for 4-chloro-2-(2-chloroethyl)-6,7-dimethoxyquinazoline?
The canonical SMILES for 4-chloro-2-(2-chloroethyl)-6,7-dimethoxyquinazoline is COc1cc2nc(CCCl)nc(Cl)c2cc1OC.
What is the InChIKey of 4-chloro-2-(2-chloroethyl)-6,7-dimethoxyquinazoline?
The InChIKey is VTQHVQIGFZBZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O2/c1-17-9-5-7-8(6-10(9)18-2)15-11(3-4-13)16-12(7)14/h5-6H,3-4H2,1-2H3.
What are the key properties of 4-chloro-2-(2-chloroethyl)-6,7-dimethoxyquinazoline?
4-chloro-2-(2-chloroethyl)-6,7-dimethoxyquinazoline has a molecular weight of 287.15 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-chloroethyl)-6,7-dimethoxyquinazoline is sourced from PubChem (CID 90236933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).