methyl 2-[[8-fluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethoxy]quinazolin-6-yl]amino]-2-methylpropanoate

C20H26FN3O6 — CID 155091547

IUPACmethyl 2-[[8-fluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethoxy]quinazolin-6-yl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)Nc1cc(F)c2ncnc(OCCOC(=O)OC(C)(C)C)c2c1
InChIInChI=1S/C20H26FN3O6/c1-19(2,3)30-18(26)29-8-7-28-16-13-9-12(24-20(4,5)17(25)27-6)10-14(21)15(13)22-11-23-16/h9-11,24H,7-8H2,1-6H3
InChIKeyQLEPYMYZZCJHGD-UHFFFAOYSA-N
MW423.44 g/mol
LogP3.46
Rot. Bonds7

About methyl 2-[[8-fluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethoxy]quinazolin-6-yl]amino]-2-methylpropanoate

methyl 2-[[8-fluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethoxy]quinazolin-6-yl]amino]-2-methylpropanoate (PubChem CID 155091547) has the molecular formula C20H26FN3O6 and a molecular weight of 423.44 g/mol. Its IUPAC name is methyl 2-[[8-fluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethoxy]quinazolin-6-yl]amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[8-fluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethoxy]quinazolin-6-yl]amino]-2-methylpropanoate
PubChem CID155091547
Molecular FormulaC20H26FN3O6
Molecular Weight423.44 g/mol
Exact Mass423.18
IUPAC Namemethyl 2-[[8-fluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethoxy]quinazolin-6-yl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)Nc1cc(F)c2ncnc(OCCOC(=O)OC(C)(C)C)c2c1
InChIInChI=1S/C20H26FN3O6/c1-19(2,3)30-18(26)29-8-7-28-16-13-9-12(24-20(4,5)17(25)27-6)10-14(21)15(13)22-11-23-16/h9-11,24H,7-8H2,1-6H3
InChIKeyQLEPYMYZZCJHGD-UHFFFAOYSA-N
XLogP3.46
TPSA108.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze methyl 2-[[8-fluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethoxy]quinazolin-6-yl]amino]-2-methylpropanoate 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-[[8-fluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethoxy]quinazolin-6-yl]amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[[8-fluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethoxy]quinazolin-6-yl]amino]-2-methylpropanoate (CID 155091547) is methyl 2-[[8-fluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethoxy]quinazolin-6-yl]amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[[8-fluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethoxy]quinazolin-6-yl]amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[[8-fluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethoxy]quinazolin-6-yl]amino]-2-methylpropanoate is COC(=O)C(C)(C)Nc1cc(F)c2ncnc(OCCOC(=O)OC(C)(C)C)c2c1.
What is the InChIKey of methyl 2-[[8-fluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethoxy]quinazolin-6-yl]amino]-2-methylpropanoate?
The InChIKey is QLEPYMYZZCJHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O6/c1-19(2,3)30-18(26)29-8-7-28-16-13-9-12(24-20(4,5)17(25)27-6)10-14(21)15(13)22-11-23-16/h9-11,24H,7-8H2,1-6H3.
What are the key properties of methyl 2-[[8-fluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethoxy]quinazolin-6-yl]amino]-2-methylpropanoate?
methyl 2-[[8-fluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethoxy]quinazolin-6-yl]amino]-2-methylpropanoate has a molecular weight of 423.44 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[8-fluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethoxy]quinazolin-6-yl]amino]-2-methylpropanoate is sourced from PubChem (CID 155091547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).