N-(4-ethoxy-3,5-dimethoxyphenyl)-6,7-dimethoxyquinazolin-4-amine

C20H23N3O5 — CID 5330463

IUPACN-(4-ethoxy-3,5-dimethoxyphenyl)-6,7-dimethoxyquinazolin-4-amine
SMILESCCOc1c(OC)cc(Nc2ncnc3cc(OC)c(OC)cc23)cc1OC
InChIInChI=1S/C20H23N3O5/c1-6-28-19-17(26-4)7-12(8-18(19)27-5)23-20-13-9-15(24-2)16(25-3)10-14(13)21-11-22-20/h7-11H,6H2,1-5H3,(H,21,22,23)
InChIKeyVECJRCLVOQXPPA-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.81
Rot. Bonds8

About N-(4-ethoxy-3,5-dimethoxyphenyl)-6,7-dimethoxyquinazolin-4-amine

N-(4-ethoxy-3,5-dimethoxyphenyl)-6,7-dimethoxyquinazolin-4-amine (PubChem CID 5330463) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-(4-ethoxy-3,5-dimethoxyphenyl)-6,7-dimethoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-(4-ethoxy-3,5-dimethoxyphenyl)-6,7-dimethoxyquinazolin-4-amine
PubChem CID5330463
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC NameN-(4-ethoxy-3,5-dimethoxyphenyl)-6,7-dimethoxyquinazolin-4-amine
SMILESCCOc1c(OC)cc(Nc2ncnc3cc(OC)c(OC)cc23)cc1OC
InChIInChI=1S/C20H23N3O5/c1-6-28-19-17(26-4)7-12(8-18(19)27-5)23-20-13-9-15(24-2)16(25-3)10-14(13)21-11-22-20/h7-11H,6H2,1-5H3,(H,21,22,23)
InChIKeyVECJRCLVOQXPPA-UHFFFAOYSA-N
XLogP3.81
TPSA83.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(4-ethoxy-3,5-dimethoxyphenyl)-6,7-dimethoxyquinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Erlotinib
CID 176870
Vandetanib
CID 3081361
Gefitinib
CID 123631
Trimetrexate
CID 5583
Cediranib
CID 9933475
Erlotinib Hydrochloride
CID 176871
N-(3-Chlorophenyl)-6,7-dimethoxy-4-quinazolinamine
CID 2051
Tandutinib
CID 3038522
Icotinib
CID 22024915
Krn-633
CID 9549295
PD-153035
CID 4705
Cudc-101
CID 24756910

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3,5-dimethoxyphenyl)-6,7-dimethoxyquinazolin-4-amine?
The IUPAC name of N-(4-ethoxy-3,5-dimethoxyphenyl)-6,7-dimethoxyquinazolin-4-amine (CID 5330463) is N-(4-ethoxy-3,5-dimethoxyphenyl)-6,7-dimethoxyquinazolin-4-amine.
What is the SMILES notation for N-(4-ethoxy-3,5-dimethoxyphenyl)-6,7-dimethoxyquinazolin-4-amine?
The canonical SMILES for N-(4-ethoxy-3,5-dimethoxyphenyl)-6,7-dimethoxyquinazolin-4-amine is CCOc1c(OC)cc(Nc2ncnc3cc(OC)c(OC)cc23)cc1OC.
What is the InChIKey of N-(4-ethoxy-3,5-dimethoxyphenyl)-6,7-dimethoxyquinazolin-4-amine?
The InChIKey is VECJRCLVOQXPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-6-28-19-17(26-4)7-12(8-18(19)27-5)23-20-13-9-15(24-2)16(25-3)10-14(13)21-11-22-20/h7-11H,6H2,1-5H3,(H,21,22,23).
What are the key properties of N-(4-ethoxy-3,5-dimethoxyphenyl)-6,7-dimethoxyquinazolin-4-amine?
N-(4-ethoxy-3,5-dimethoxyphenyl)-6,7-dimethoxyquinazolin-4-amine has a molecular weight of 385.42 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3,5-dimethoxyphenyl)-6,7-dimethoxyquinazolin-4-amine is sourced from PubChem (CID 5330463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).