4-(dimethylamino)quinazoline-6-carbaldehyde

C11H11N3O — CID 57469643

IUPAC4-(dimethylamino)quinazoline-6-carbaldehyde
SMILESCN(C)c1ncnc2ccc(C=O)cc12
InChIInChI=1S/C11H11N3O/c1-14(2)11-9-5-8(6-15)3-4-10(9)12-7-13-11/h3-7H,1-2H3
InChIKeyGHLNAIOPLKGQBB-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.51
Rot. Bonds2

About 4-(dimethylamino)quinazoline-6-carbaldehyde

4-(dimethylamino)quinazoline-6-carbaldehyde (PubChem CID 57469643) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 4-(dimethylamino)quinazoline-6-carbaldehyde.

Molecular Properties

Compound Name4-(dimethylamino)quinazoline-6-carbaldehyde
PubChem CID57469643
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name4-(dimethylamino)quinazoline-6-carbaldehyde
SMILESCN(C)c1ncnc2ccc(C=O)cc12
InChIInChI=1S/C11H11N3O/c1-14(2)11-9-5-8(6-15)3-4-10(9)12-7-13-11/h3-7H,1-2H3
InChIKeyGHLNAIOPLKGQBB-UHFFFAOYSA-N
XLogP1.51
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)quinazoline-6-carbaldehyde?
The IUPAC name of 4-(dimethylamino)quinazoline-6-carbaldehyde (CID 57469643) is 4-(dimethylamino)quinazoline-6-carbaldehyde.
What is the SMILES notation for 4-(dimethylamino)quinazoline-6-carbaldehyde?
The canonical SMILES for 4-(dimethylamino)quinazoline-6-carbaldehyde is CN(C)c1ncnc2ccc(C=O)cc12.
What is the InChIKey of 4-(dimethylamino)quinazoline-6-carbaldehyde?
The InChIKey is GHLNAIOPLKGQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-14(2)11-9-5-8(6-15)3-4-10(9)12-7-13-11/h3-7H,1-2H3.
What are the key properties of 4-(dimethylamino)quinazoline-6-carbaldehyde?
4-(dimethylamino)quinazoline-6-carbaldehyde has a molecular weight of 201.23 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)quinazoline-6-carbaldehyde is sourced from PubChem (CID 57469643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).