4-[4-(8-methoxyquinazolin-4-yl)phenoxy]furo[3,2-c]pyridine

C22H15N3O3 — CID 130442521

IUPAC4-[4-(8-methoxyquinazolin-4-yl)phenoxy]furo[3,2-c]pyridine
SMILESCOc1cccc2c(-c3ccc(Oc4nccc5occc45)cc3)ncnc12
InChIInChI=1S/C22H15N3O3/c1-26-19-4-2-3-17-20(24-13-25-21(17)19)14-5-7-15(8-6-14)28-22-16-10-12-27-18(16)9-11-23-22/h2-13H,1H3
InChIKeyMSUAKJACAZWTKL-UHFFFAOYSA-N
MW369.38 g/mol
LogP5.24
Rot. Bonds4

About 4-[4-(8-methoxyquinazolin-4-yl)phenoxy]furo[3,2-c]pyridine

4-[4-(8-methoxyquinazolin-4-yl)phenoxy]furo[3,2-c]pyridine (PubChem CID 130442521) has the molecular formula C22H15N3O3 and a molecular weight of 369.38 g/mol. Its IUPAC name is 4-[4-(8-methoxyquinazolin-4-yl)phenoxy]furo[3,2-c]pyridine.

Molecular Properties

Compound Name4-[4-(8-methoxyquinazolin-4-yl)phenoxy]furo[3,2-c]pyridine
PubChem CID130442521
Molecular FormulaC22H15N3O3
Molecular Weight369.38 g/mol
Exact Mass369.11
IUPAC Name4-[4-(8-methoxyquinazolin-4-yl)phenoxy]furo[3,2-c]pyridine
SMILESCOc1cccc2c(-c3ccc(Oc4nccc5occc45)cc3)ncnc12
InChIInChI=1S/C22H15N3O3/c1-26-19-4-2-3-17-20(24-13-25-21(17)19)14-5-7-15(8-6-14)28-22-16-10-12-27-18(16)9-11-23-22/h2-13H,1H3
InChIKeyMSUAKJACAZWTKL-UHFFFAOYSA-N
XLogP5.24
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.38
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(8-methoxyquinazolin-4-yl)phenoxy]furo[3,2-c]pyridine?
The IUPAC name of 4-[4-(8-methoxyquinazolin-4-yl)phenoxy]furo[3,2-c]pyridine (CID 130442521) is 4-[4-(8-methoxyquinazolin-4-yl)phenoxy]furo[3,2-c]pyridine.
What is the SMILES notation for 4-[4-(8-methoxyquinazolin-4-yl)phenoxy]furo[3,2-c]pyridine?
The canonical SMILES for 4-[4-(8-methoxyquinazolin-4-yl)phenoxy]furo[3,2-c]pyridine is COc1cccc2c(-c3ccc(Oc4nccc5occc45)cc3)ncnc12.
What is the InChIKey of 4-[4-(8-methoxyquinazolin-4-yl)phenoxy]furo[3,2-c]pyridine?
The InChIKey is MSUAKJACAZWTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O3/c1-26-19-4-2-3-17-20(24-13-25-21(17)19)14-5-7-15(8-6-14)28-22-16-10-12-27-18(16)9-11-23-22/h2-13H,1H3.
What are the key properties of 4-[4-(8-methoxyquinazolin-4-yl)phenoxy]furo[3,2-c]pyridine?
4-[4-(8-methoxyquinazolin-4-yl)phenoxy]furo[3,2-c]pyridine has a molecular weight of 369.38 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(8-methoxyquinazolin-4-yl)phenoxy]furo[3,2-c]pyridine is sourced from PubChem (CID 130442521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).