methyl 4-[(2,4,6-trimethoxyphenyl)methylamino]quinazoline-6-carboxylate

C20H21N3O5 — CID 141030833

IUPACmethyl 4-[(2,4,6-trimethoxyphenyl)methylamino]quinazoline-6-carboxylate
SMILESCOC(=O)c1ccc2ncnc(NCc3c(OC)cc(OC)cc3OC)c2c1
InChIInChI=1S/C20H21N3O5/c1-25-13-8-17(26-2)15(18(9-13)27-3)10-21-19-14-7-12(20(24)28-4)5-6-16(14)22-11-23-19/h5-9,11H,10H2,1-4H3,(H,21,22,23)
InChIKeyAWAUWKRTKOXHRH-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.05
Rot. Bonds7

About methyl 4-[(2,4,6-trimethoxyphenyl)methylamino]quinazoline-6-carboxylate

methyl 4-[(2,4,6-trimethoxyphenyl)methylamino]quinazoline-6-carboxylate (PubChem CID 141030833) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is methyl 4-[(2,4,6-trimethoxyphenyl)methylamino]quinazoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2,4,6-trimethoxyphenyl)methylamino]quinazoline-6-carboxylate
PubChem CID141030833
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Namemethyl 4-[(2,4,6-trimethoxyphenyl)methylamino]quinazoline-6-carboxylate
SMILESCOC(=O)c1ccc2ncnc(NCc3c(OC)cc(OC)cc3OC)c2c1
InChIInChI=1S/C20H21N3O5/c1-25-13-8-17(26-2)15(18(9-13)27-3)10-21-19-14-7-12(20(24)28-4)5-6-16(14)22-11-23-19/h5-9,11H,10H2,1-4H3,(H,21,22,23)
InChIKeyAWAUWKRTKOXHRH-UHFFFAOYSA-N
XLogP3.05
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 4-[(2,4,6-trimethoxyphenyl)methylamino]quinazoline-6-carboxylate 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 4-[(2,4,6-trimethoxyphenyl)methylamino]quinazoline-6-carboxylate?
The IUPAC name of methyl 4-[(2,4,6-trimethoxyphenyl)methylamino]quinazoline-6-carboxylate (CID 141030833) is methyl 4-[(2,4,6-trimethoxyphenyl)methylamino]quinazoline-6-carboxylate.
What is the SMILES notation for methyl 4-[(2,4,6-trimethoxyphenyl)methylamino]quinazoline-6-carboxylate?
The canonical SMILES for methyl 4-[(2,4,6-trimethoxyphenyl)methylamino]quinazoline-6-carboxylate is COC(=O)c1ccc2ncnc(NCc3c(OC)cc(OC)cc3OC)c2c1.
What is the InChIKey of methyl 4-[(2,4,6-trimethoxyphenyl)methylamino]quinazoline-6-carboxylate?
The InChIKey is AWAUWKRTKOXHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-25-13-8-17(26-2)15(18(9-13)27-3)10-21-19-14-7-12(20(24)28-4)5-6-16(14)22-11-23-19/h5-9,11H,10H2,1-4H3,(H,21,22,23).
What are the key properties of methyl 4-[(2,4,6-trimethoxyphenyl)methylamino]quinazoline-6-carboxylate?
methyl 4-[(2,4,6-trimethoxyphenyl)methylamino]quinazoline-6-carboxylate has a molecular weight of 383.40 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2,4,6-trimethoxyphenyl)methylamino]quinazoline-6-carboxylate is sourced from PubChem (CID 141030833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).