propan-2-yl 2-[methyl-(6-methylquinazolin-4-yl)amino]propanoate

C16H21N3O2 — CID 133443423

IUPACpropan-2-yl 2-[methyl-(6-methylquinazolin-4-yl)amino]propanoate
SMILESCc1ccc2ncnc(N(C)C(C)C(=O)OC(C)C)c2c1
InChIInChI=1S/C16H21N3O2/c1-10(2)21-16(20)12(4)19(5)15-13-8-11(3)6-7-14(13)17-9-18-15/h6-10,12H,1-5H3
InChIKeyVHYSJJXQDJCXEO-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.71
Rot. Bonds4

About propan-2-yl 2-[methyl-(6-methylquinazolin-4-yl)amino]propanoate

propan-2-yl 2-[methyl-(6-methylquinazolin-4-yl)amino]propanoate (PubChem CID 133443423) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is propan-2-yl 2-[methyl-(6-methylquinazolin-4-yl)amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl 2-[methyl-(6-methylquinazolin-4-yl)amino]propanoate
PubChem CID133443423
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Namepropan-2-yl 2-[methyl-(6-methylquinazolin-4-yl)amino]propanoate
SMILESCc1ccc2ncnc(N(C)C(C)C(=O)OC(C)C)c2c1
InChIInChI=1S/C16H21N3O2/c1-10(2)21-16(20)12(4)19(5)15-13-8-11(3)6-7-14(13)17-9-18-15/h6-10,12H,1-5H3
InChIKeyVHYSJJXQDJCXEO-UHFFFAOYSA-N
XLogP2.71
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze propan-2-yl 2-[methyl-(6-methylquinazolin-4-yl)amino]propanoate 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 propan-2-yl 2-[methyl-(6-methylquinazolin-4-yl)amino]propanoate?
The IUPAC name of propan-2-yl 2-[methyl-(6-methylquinazolin-4-yl)amino]propanoate (CID 133443423) is propan-2-yl 2-[methyl-(6-methylquinazolin-4-yl)amino]propanoate.
What is the SMILES notation for propan-2-yl 2-[methyl-(6-methylquinazolin-4-yl)amino]propanoate?
The canonical SMILES for propan-2-yl 2-[methyl-(6-methylquinazolin-4-yl)amino]propanoate is Cc1ccc2ncnc(N(C)C(C)C(=O)OC(C)C)c2c1.
What is the InChIKey of propan-2-yl 2-[methyl-(6-methylquinazolin-4-yl)amino]propanoate?
The InChIKey is VHYSJJXQDJCXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10(2)21-16(20)12(4)19(5)15-13-8-11(3)6-7-14(13)17-9-18-15/h6-10,12H,1-5H3.
What are the key properties of propan-2-yl 2-[methyl-(6-methylquinazolin-4-yl)amino]propanoate?
propan-2-yl 2-[methyl-(6-methylquinazolin-4-yl)amino]propanoate has a molecular weight of 287.36 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[methyl-(6-methylquinazolin-4-yl)amino]propanoate is sourced from PubChem (CID 133443423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).