3-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenol

C18H19N3O4 — CID 5329012

IUPAC3-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenol
SMILESCOCCOc1cc2ncnc(Nc3cccc(O)c3)c2cc1OC
InChIInChI=1S/C18H19N3O4/c1-23-6-7-25-17-10-15-14(9-16(17)24-2)18(20-11-19-15)21-12-4-3-5-13(22)8-12/h3-5,8-11,22H,6-7H2,1-2H3,(H,19,20,21)
InChIKeyUXTWDPHPOWZONL-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.11
Rot. Bonds7

About 3-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenol

3-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenol (PubChem CID 5329012) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 3-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenol.

Molecular Properties

Compound Name3-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenol
PubChem CID5329012
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name3-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenol
SMILESCOCCOc1cc2ncnc(Nc3cccc(O)c3)c2cc1OC
InChIInChI=1S/C18H19N3O4/c1-23-6-7-25-17-10-15-14(9-16(17)24-2)18(20-11-19-15)21-12-4-3-5-13(22)8-12/h3-5,8-11,22H,6-7H2,1-2H3,(H,19,20,21)
InChIKeyUXTWDPHPOWZONL-UHFFFAOYSA-N
XLogP3.11
TPSA85.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 3-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenol?
The IUPAC name of 3-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenol (CID 5329012) is 3-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenol.
What is the SMILES notation for 3-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenol?
The canonical SMILES for 3-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenol is COCCOc1cc2ncnc(Nc3cccc(O)c3)c2cc1OC.
What is the InChIKey of 3-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenol?
The InChIKey is UXTWDPHPOWZONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-23-6-7-25-17-10-15-14(9-16(17)24-2)18(20-11-19-15)21-12-4-3-5-13(22)8-12/h3-5,8-11,22H,6-7H2,1-2H3,(H,19,20,21).
What are the key properties of 3-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenol?
3-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenol has a molecular weight of 341.37 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenol is sourced from PubChem (CID 5329012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).