6-chloro-4-phenylquinazoline-2-carbaldehyde

C15H9ClN2O — CID 555754

IUPAC6-chloro-4-phenylquinazoline-2-carbaldehyde
SMILESO=Cc1nc(-c2ccccc2)c2cc(Cl)ccc2n1
InChIInChI=1S/C15H9ClN2O/c16-11-6-7-13-12(8-11)15(18-14(9-19)17-13)10-4-2-1-3-5-10/h1-9H
InChIKeyWZOTYGIIBJPOSP-UHFFFAOYSA-N
MW268.70 g/mol
LogP3.76
Rot. Bonds2

About 6-chloro-4-phenylquinazoline-2-carbaldehyde

6-chloro-4-phenylquinazoline-2-carbaldehyde (PubChem CID 555754) has the molecular formula C15H9ClN2O and a molecular weight of 268.70 g/mol. Its IUPAC name is 6-chloro-4-phenylquinazoline-2-carbaldehyde.

Molecular Properties

Compound Name6-chloro-4-phenylquinazoline-2-carbaldehyde
PubChem CID555754
Molecular FormulaC15H9ClN2O
Molecular Weight268.70 g/mol
Exact Mass268.04
IUPAC Name6-chloro-4-phenylquinazoline-2-carbaldehyde
SMILESO=Cc1nc(-c2ccccc2)c2cc(Cl)ccc2n1
InChIInChI=1S/C15H9ClN2O/c16-11-6-7-13-12(8-11)15(18-14(9-19)17-13)10-4-2-1-3-5-10/h1-9H
InChIKeyWZOTYGIIBJPOSP-UHFFFAOYSA-N
XLogP3.76
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 53.76
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-phenylquinazoline-2-carbaldehyde?
The IUPAC name of 6-chloro-4-phenylquinazoline-2-carbaldehyde (CID 555754) is 6-chloro-4-phenylquinazoline-2-carbaldehyde.
What is the SMILES notation for 6-chloro-4-phenylquinazoline-2-carbaldehyde?
The canonical SMILES for 6-chloro-4-phenylquinazoline-2-carbaldehyde is O=Cc1nc(-c2ccccc2)c2cc(Cl)ccc2n1.
What is the InChIKey of 6-chloro-4-phenylquinazoline-2-carbaldehyde?
The InChIKey is WZOTYGIIBJPOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2O/c16-11-6-7-13-12(8-11)15(18-14(9-19)17-13)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 6-chloro-4-phenylquinazoline-2-carbaldehyde?
6-chloro-4-phenylquinazoline-2-carbaldehyde has a molecular weight of 268.70 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-phenylquinazoline-2-carbaldehyde is sourced from PubChem (CID 555754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).