methyl 2-[[1-(4,6-dimethylquinazolin-2-yl)piperidine-4-carbonyl]-methylamino]acetate

C20H26N4O3 — CID 118755153

IUPACmethyl 2-[[1-(4,6-dimethylquinazolin-2-yl)piperidine-4-carbonyl]-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)C1CCN(c2nc(C)c3cc(C)ccc3n2)CC1
InChIInChI=1S/C20H26N4O3/c1-13-5-6-17-16(11-13)14(2)21-20(22-17)24-9-7-15(8-10-24)19(26)23(3)12-18(25)27-4/h5-6,11,15H,7-10,12H2,1-4H3
InChIKeyJZMLAFUEYKQKPZ-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.09
Rot. Bonds4

About methyl 2-[[1-(4,6-dimethylquinazolin-2-yl)piperidine-4-carbonyl]-methylamino]acetate

methyl 2-[[1-(4,6-dimethylquinazolin-2-yl)piperidine-4-carbonyl]-methylamino]acetate (PubChem CID 118755153) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is methyl 2-[[1-(4,6-dimethylquinazolin-2-yl)piperidine-4-carbonyl]-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-(4,6-dimethylquinazolin-2-yl)piperidine-4-carbonyl]-methylamino]acetate
PubChem CID118755153
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Namemethyl 2-[[1-(4,6-dimethylquinazolin-2-yl)piperidine-4-carbonyl]-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)C1CCN(c2nc(C)c3cc(C)ccc3n2)CC1
InChIInChI=1S/C20H26N4O3/c1-13-5-6-17-16(11-13)14(2)21-20(22-17)24-9-7-15(8-10-24)19(26)23(3)12-18(25)27-4/h5-6,11,15H,7-10,12H2,1-4H3
InChIKeyJZMLAFUEYKQKPZ-UHFFFAOYSA-N
XLogP2.09
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[1-(4,6-dimethylquinazolin-2-yl)piperidine-4-carbonyl]-methylamino]acetate 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 methyl 2-[[1-(4,6-dimethylquinazolin-2-yl)piperidine-4-carbonyl]-methylamino]acetate?
The IUPAC name of methyl 2-[[1-(4,6-dimethylquinazolin-2-yl)piperidine-4-carbonyl]-methylamino]acetate (CID 118755153) is methyl 2-[[1-(4,6-dimethylquinazolin-2-yl)piperidine-4-carbonyl]-methylamino]acetate.
What is the SMILES notation for methyl 2-[[1-(4,6-dimethylquinazolin-2-yl)piperidine-4-carbonyl]-methylamino]acetate?
The canonical SMILES for methyl 2-[[1-(4,6-dimethylquinazolin-2-yl)piperidine-4-carbonyl]-methylamino]acetate is COC(=O)CN(C)C(=O)C1CCN(c2nc(C)c3cc(C)ccc3n2)CC1.
What is the InChIKey of methyl 2-[[1-(4,6-dimethylquinazolin-2-yl)piperidine-4-carbonyl]-methylamino]acetate?
The InChIKey is JZMLAFUEYKQKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-13-5-6-17-16(11-13)14(2)21-20(22-17)24-9-7-15(8-10-24)19(26)23(3)12-18(25)27-4/h5-6,11,15H,7-10,12H2,1-4H3.
What are the key properties of methyl 2-[[1-(4,6-dimethylquinazolin-2-yl)piperidine-4-carbonyl]-methylamino]acetate?
methyl 2-[[1-(4,6-dimethylquinazolin-2-yl)piperidine-4-carbonyl]-methylamino]acetate has a molecular weight of 370.45 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(4,6-dimethylquinazolin-2-yl)piperidine-4-carbonyl]-methylamino]acetate is sourced from PubChem (CID 118755153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).