6-methoxy-N-(4-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine

C23H28N4O4 — CID 5330172

IUPAC6-methoxy-N-(4-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
SMILESCOc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)cc1
InChIInChI=1S/C23H28N4O4/c1-28-18-6-4-17(5-7-18)26-23-19-14-21(29-2)22(15-20(19)24-16-25-23)31-11-3-8-27-9-12-30-13-10-27/h4-7,14-16H,3,8-13H2,1-2H3,(H,24,25,26)
InChIKeyNOSWWYFJKOPCTB-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.49
Rot. Bonds9

About 6-methoxy-N-(4-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine

6-methoxy-N-(4-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine (PubChem CID 5330172) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is 6-methoxy-N-(4-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-(4-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
PubChem CID5330172
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Name6-methoxy-N-(4-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
SMILESCOc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)cc1
InChIInChI=1S/C23H28N4O4/c1-28-18-6-4-17(5-7-18)26-23-19-14-21(29-2)22(15-20(19)24-16-25-23)31-11-3-8-27-9-12-30-13-10-27/h4-7,14-16H,3,8-13H2,1-2H3,(H,24,25,26)
InChIKeyNOSWWYFJKOPCTB-UHFFFAOYSA-N
XLogP3.49
TPSA77.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-methoxy-N-(4-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-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

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(4-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine?
The IUPAC name of 6-methoxy-N-(4-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine (CID 5330172) is 6-methoxy-N-(4-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine.
What is the SMILES notation for 6-methoxy-N-(4-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine?
The canonical SMILES for 6-methoxy-N-(4-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine is COc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)cc1.
What is the InChIKey of 6-methoxy-N-(4-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine?
The InChIKey is NOSWWYFJKOPCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-28-18-6-4-17(5-7-18)26-23-19-14-21(29-2)22(15-20(19)24-16-25-23)31-11-3-8-27-9-12-30-13-10-27/h4-7,14-16H,3,8-13H2,1-2H3,(H,24,25,26).
What are the key properties of 6-methoxy-N-(4-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine?
6-methoxy-N-(4-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine has a molecular weight of 424.50 g/mol, XLogP of 3.49, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(4-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine is sourced from PubChem (CID 5330172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).