1,3-dimethyl-2,4-dihydroquinazoline-4-carbaldehyde

C11H14N2O — CID 174408490

IUPAC1,3-dimethyl-2,4-dihydroquinazoline-4-carbaldehyde
SMILESCN1CN(C)C(C=O)c2ccccc21
InChIInChI=1S/C11H14N2O/c1-12-8-13(2)11(7-14)9-5-3-4-6-10(9)12/h3-7,11H,8H2,1-2H3
InChIKeyGGLCLJNPFKJCCH-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.27
Rot. Bonds1

About 1,3-dimethyl-2,4-dihydroquinazoline-4-carbaldehyde

1,3-dimethyl-2,4-dihydroquinazoline-4-carbaldehyde (PubChem CID 174408490) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1,3-dimethyl-2,4-dihydroquinazoline-4-carbaldehyde.

Molecular Properties

Compound Name1,3-dimethyl-2,4-dihydroquinazoline-4-carbaldehyde
PubChem CID174408490
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1,3-dimethyl-2,4-dihydroquinazoline-4-carbaldehyde
SMILESCN1CN(C)C(C=O)c2ccccc21
InChIInChI=1S/C11H14N2O/c1-12-8-13(2)11(7-14)9-5-3-4-6-10(9)12/h3-7,11H,8H2,1-2H3
InChIKeyGGLCLJNPFKJCCH-UHFFFAOYSA-N
XLogP1.27
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.27
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 1,3-dimethyl-2,4-dihydroquinazoline-4-carbaldehyde?
The IUPAC name of 1,3-dimethyl-2,4-dihydroquinazoline-4-carbaldehyde (CID 174408490) is 1,3-dimethyl-2,4-dihydroquinazoline-4-carbaldehyde.
What is the SMILES notation for 1,3-dimethyl-2,4-dihydroquinazoline-4-carbaldehyde?
The canonical SMILES for 1,3-dimethyl-2,4-dihydroquinazoline-4-carbaldehyde is CN1CN(C)C(C=O)c2ccccc21.
What is the InChIKey of 1,3-dimethyl-2,4-dihydroquinazoline-4-carbaldehyde?
The InChIKey is GGLCLJNPFKJCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-12-8-13(2)11(7-14)9-5-3-4-6-10(9)12/h3-7,11H,8H2,1-2H3.
What are the key properties of 1,3-dimethyl-2,4-dihydroquinazoline-4-carbaldehyde?
1,3-dimethyl-2,4-dihydroquinazoline-4-carbaldehyde has a molecular weight of 190.25 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,4-dihydroquinazoline-4-carbaldehyde is sourced from PubChem (CID 174408490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).