2-[4-(dimethylamino)quinazolin-2-yl]acetaldehyde

C12H13N3O — CID 87350562

IUPAC2-[4-(dimethylamino)quinazolin-2-yl]acetaldehyde
SMILESCN(C)c1nc(CC=O)nc2ccccc12
InChIInChI=1S/C12H13N3O/c1-15(2)12-9-5-3-4-6-10(9)13-11(14-12)7-8-16/h3-6,8H,7H2,1-2H3
InChIKeyVYOJSZNGLKOLQZ-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.44
Rot. Bonds3

About 2-[4-(dimethylamino)quinazolin-2-yl]acetaldehyde

2-[4-(dimethylamino)quinazolin-2-yl]acetaldehyde (PubChem CID 87350562) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-[4-(dimethylamino)quinazolin-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[4-(dimethylamino)quinazolin-2-yl]acetaldehyde
PubChem CID87350562
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-[4-(dimethylamino)quinazolin-2-yl]acetaldehyde
SMILESCN(C)c1nc(CC=O)nc2ccccc12
InChIInChI=1S/C12H13N3O/c1-15(2)12-9-5-3-4-6-10(9)13-11(14-12)7-8-16/h3-6,8H,7H2,1-2H3
InChIKeyVYOJSZNGLKOLQZ-UHFFFAOYSA-N
XLogP1.44
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-(dimethylamino)quinazolin-2-yl]acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)quinazolin-2-yl]acetaldehyde?
The IUPAC name of 2-[4-(dimethylamino)quinazolin-2-yl]acetaldehyde (CID 87350562) is 2-[4-(dimethylamino)quinazolin-2-yl]acetaldehyde.
What is the SMILES notation for 2-[4-(dimethylamino)quinazolin-2-yl]acetaldehyde?
The canonical SMILES for 2-[4-(dimethylamino)quinazolin-2-yl]acetaldehyde is CN(C)c1nc(CC=O)nc2ccccc12.
What is the InChIKey of 2-[4-(dimethylamino)quinazolin-2-yl]acetaldehyde?
The InChIKey is VYOJSZNGLKOLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-15(2)12-9-5-3-4-6-10(9)13-11(14-12)7-8-16/h3-6,8H,7H2,1-2H3.
What are the key properties of 2-[4-(dimethylamino)quinazolin-2-yl]acetaldehyde?
2-[4-(dimethylamino)quinazolin-2-yl]acetaldehyde has a molecular weight of 215.26 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)quinazolin-2-yl]acetaldehyde is sourced from PubChem (CID 87350562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).