N-ethyl-2-[(quinazolin-4-yl)amino]acetamide

• ChemBase ID: 267922
• Molecular Formular: C12H14N4O
• Molecular Mass: 230.26576
• Monoisotopic Mass: 230.11676109
• SMILES: c1(c2c(ncn1)cccc2)NCC(=O)NCC
• Canonical SMILES: CCNC(=O)CNc1ncnc2c1cccc2
• InChI: InChI=1S/C12H14N4O/c1-2-13-11(17)7-14-12-9-5-3-4-6-10(9)15-8-16-12/h3-6,8H,2,7H2,1H3,(H,13,17)(H,14,15,16)
• InChIKey: YNLSRWIQBKRABZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-2-[(quinazolin-4-yl)amino]acetamide
• IUPAC Traditional name: N-ethyl-2-(quinazolin-4-ylamino)acetamide
• Synonyms: N-ethyl-2-(quinazolin-4-ylamino)acetamide

Database IDs

• MDL Number: MFCD13233853
• PubChem SID: 164323832
• PubChem CID: 47003159

CALCULATED PROPERTIES

• Acid pKa: 15.144957
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.6675826
• LogD (pH = 7.4): 0.7427721
• Log P: 0.74382293
• Molar Refractivity: 66.8599 cm^3
• Polarizability: 25.758991 Å^3
• Polar Surface Area: 66.91 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.308

Product Information

• Purity: 95%