6-chloro-4-(2-chlorophenyl)quinazoline-2-carbaldehyde

C15H8Cl2N2O — CID 617488

IUPAC6-chloro-4-(2-chlorophenyl)quinazoline-2-carbaldehyde
SMILESO=Cc1nc(-c2ccccc2Cl)c2cc(Cl)ccc2n1
InChIInChI=1S/C15H8Cl2N2O/c16-9-5-6-13-11(7-9)15(19-14(8-20)18-13)10-3-1-2-4-12(10)17/h1-8H
InChIKeyVUUITUUENPOMIU-UHFFFAOYSA-N
MW303.15 g/mol
LogP4.42
Rot. Bonds2

About 6-chloro-4-(2-chlorophenyl)quinazoline-2-carbaldehyde

6-chloro-4-(2-chlorophenyl)quinazoline-2-carbaldehyde (PubChem CID 617488) has the molecular formula C15H8Cl2N2O and a molecular weight of 303.15 g/mol. Its IUPAC name is 6-chloro-4-(2-chlorophenyl)quinazoline-2-carbaldehyde.

Molecular Properties

Compound Name6-chloro-4-(2-chlorophenyl)quinazoline-2-carbaldehyde
PubChem CID617488
Molecular FormulaC15H8Cl2N2O
Molecular Weight303.15 g/mol
Exact Mass302.00
IUPAC Name6-chloro-4-(2-chlorophenyl)quinazoline-2-carbaldehyde
SMILESO=Cc1nc(-c2ccccc2Cl)c2cc(Cl)ccc2n1
InChIInChI=1S/C15H8Cl2N2O/c16-9-5-6-13-11(7-9)15(19-14(8-20)18-13)10-3-1-2-4-12(10)17/h1-8H
InChIKeyVUUITUUENPOMIU-UHFFFAOYSA-N
XLogP4.42
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(2-chlorophenyl)quinazoline-2-carbaldehyde?
The IUPAC name of 6-chloro-4-(2-chlorophenyl)quinazoline-2-carbaldehyde (CID 617488) is 6-chloro-4-(2-chlorophenyl)quinazoline-2-carbaldehyde.
What is the SMILES notation for 6-chloro-4-(2-chlorophenyl)quinazoline-2-carbaldehyde?
The canonical SMILES for 6-chloro-4-(2-chlorophenyl)quinazoline-2-carbaldehyde is O=Cc1nc(-c2ccccc2Cl)c2cc(Cl)ccc2n1.
What is the InChIKey of 6-chloro-4-(2-chlorophenyl)quinazoline-2-carbaldehyde?
The InChIKey is VUUITUUENPOMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2N2O/c16-9-5-6-13-11(7-9)15(19-14(8-20)18-13)10-3-1-2-4-12(10)17/h1-8H.
What are the key properties of 6-chloro-4-(2-chlorophenyl)quinazoline-2-carbaldehyde?
6-chloro-4-(2-chlorophenyl)quinazoline-2-carbaldehyde has a molecular weight of 303.15 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(2-chlorophenyl)quinazoline-2-carbaldehyde is sourced from PubChem (CID 617488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).