6,7-bis(2-methoxyethoxy)-1,4-dihydroquinazoline-4-carbaldehyde

C15H20N2O5 — CID 174772296

IUPAC6,7-bis(2-methoxyethoxy)-1,4-dihydroquinazoline-4-carbaldehyde
SMILESCOCCOc1cc2c(cc1OCCOC)C(C=O)N=CN2
InChIInChI=1S/C15H20N2O5/c1-19-3-5-21-14-7-11-12(16-10-17-13(11)9-18)8-15(14)22-6-4-20-2/h7-10,13H,3-6H2,1-2H3,(H,16,17)
InChIKeyLTBWEDZFCHLSCM-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.43
Rot. Bonds9

About 6,7-bis(2-methoxyethoxy)-1,4-dihydroquinazoline-4-carbaldehyde

6,7-bis(2-methoxyethoxy)-1,4-dihydroquinazoline-4-carbaldehyde (PubChem CID 174772296) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is 6,7-bis(2-methoxyethoxy)-1,4-dihydroquinazoline-4-carbaldehyde.

Molecular Properties

Compound Name6,7-bis(2-methoxyethoxy)-1,4-dihydroquinazoline-4-carbaldehyde
PubChem CID174772296
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name6,7-bis(2-methoxyethoxy)-1,4-dihydroquinazoline-4-carbaldehyde
SMILESCOCCOc1cc2c(cc1OCCOC)C(C=O)N=CN2
InChIInChI=1S/C15H20N2O5/c1-19-3-5-21-14-7-11-12(16-10-17-13(11)9-18)8-15(14)22-6-4-20-2/h7-10,13H,3-6H2,1-2H3,(H,16,17)
InChIKeyLTBWEDZFCHLSCM-UHFFFAOYSA-N
XLogP1.43
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6,7-bis(2-methoxyethoxy)-1,4-dihydroquinazoline-4-carbaldehyde 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 6,7-bis(2-methoxyethoxy)-1,4-dihydroquinazoline-4-carbaldehyde?
The IUPAC name of 6,7-bis(2-methoxyethoxy)-1,4-dihydroquinazoline-4-carbaldehyde (CID 174772296) is 6,7-bis(2-methoxyethoxy)-1,4-dihydroquinazoline-4-carbaldehyde.
What is the SMILES notation for 6,7-bis(2-methoxyethoxy)-1,4-dihydroquinazoline-4-carbaldehyde?
The canonical SMILES for 6,7-bis(2-methoxyethoxy)-1,4-dihydroquinazoline-4-carbaldehyde is COCCOc1cc2c(cc1OCCOC)C(C=O)N=CN2.
What is the InChIKey of 6,7-bis(2-methoxyethoxy)-1,4-dihydroquinazoline-4-carbaldehyde?
The InChIKey is LTBWEDZFCHLSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-19-3-5-21-14-7-11-12(16-10-17-13(11)9-18)8-15(14)22-6-4-20-2/h7-10,13H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 6,7-bis(2-methoxyethoxy)-1,4-dihydroquinazoline-4-carbaldehyde?
6,7-bis(2-methoxyethoxy)-1,4-dihydroquinazoline-4-carbaldehyde has a molecular weight of 308.33 g/mol, XLogP of 1.43, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis(2-methoxyethoxy)-1,4-dihydroquinazoline-4-carbaldehyde is sourced from PubChem (CID 174772296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).