2-(3,4-dimethoxyphenyl)-7-ethoxy-6-methoxy-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine

C26H34N4O5 — CID 3411928

IUPAC2-(3,4-dimethoxyphenyl)-7-ethoxy-6-methoxy-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
SMILESCCOc1cc2nc(-c3ccc(OC)c(OC)c3)nc(NCCCN3CCOCC3)c2cc1OC
InChIInChI=1S/C26H34N4O5/c1-5-35-24-17-20-19(16-23(24)33-4)26(27-9-6-10-30-11-13-34-14-12-30)29-25(28-20)18-7-8-21(31-2)22(15-18)32-3/h7-8,15-17H,5-6,9-14H2,1-4H3,(H,27,28,29)
InChIKeyGUEZCQOOEUTMJF-UHFFFAOYSA-N
MW482.58 g/mol
LogP3.86
Rot. Bonds11

About 2-(3,4-dimethoxyphenyl)-7-ethoxy-6-methoxy-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine

2-(3,4-dimethoxyphenyl)-7-ethoxy-6-methoxy-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine (PubChem CID 3411928) has the molecular formula C26H34N4O5 and a molecular weight of 482.58 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-7-ethoxy-6-methoxy-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-7-ethoxy-6-methoxy-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
PubChem CID3411928
Molecular FormulaC26H34N4O5
Molecular Weight482.58 g/mol
Exact Mass482.25
IUPAC Name2-(3,4-dimethoxyphenyl)-7-ethoxy-6-methoxy-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
SMILESCCOc1cc2nc(-c3ccc(OC)c(OC)c3)nc(NCCCN3CCOCC3)c2cc1OC
InChIInChI=1S/C26H34N4O5/c1-5-35-24-17-20-19(16-23(24)33-4)26(27-9-6-10-30-11-13-34-14-12-30)29-25(28-20)18-7-8-21(31-2)22(15-18)32-3/h7-8,15-17H,5-6,9-14H2,1-4H3,(H,27,28,29)
InChIKeyGUEZCQOOEUTMJF-UHFFFAOYSA-N
XLogP3.86
TPSA87.20 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-7-ethoxy-6-methoxy-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-7-ethoxy-6-methoxy-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine (CID 3411928) is 2-(3,4-dimethoxyphenyl)-7-ethoxy-6-methoxy-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-7-ethoxy-6-methoxy-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-7-ethoxy-6-methoxy-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine is CCOc1cc2nc(-c3ccc(OC)c(OC)c3)nc(NCCCN3CCOCC3)c2cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-7-ethoxy-6-methoxy-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine?
The InChIKey is GUEZCQOOEUTMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O5/c1-5-35-24-17-20-19(16-23(24)33-4)26(27-9-6-10-30-11-13-34-14-12-30)29-25(28-20)18-7-8-21(31-2)22(15-18)32-3/h7-8,15-17H,5-6,9-14H2,1-4H3,(H,27,28,29).
What are the key properties of 2-(3,4-dimethoxyphenyl)-7-ethoxy-6-methoxy-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine?
2-(3,4-dimethoxyphenyl)-7-ethoxy-6-methoxy-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine has a molecular weight of 482.58 g/mol, XLogP of 3.86, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-7-ethoxy-6-methoxy-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine is sourced from PubChem (CID 3411928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).