1-[4-(1-benzofuran-4-ylamino)-6-methoxyquinazolin-7-yl]oxy-3-piperidin-1-ylpropan-2-ol

C25H28N4O4 — CID 10160964

IUPAC1-[4-(1-benzofuran-4-ylamino)-6-methoxyquinazolin-7-yl]oxy-3-piperidin-1-ylpropan-2-ol
SMILESCOc1cc2c(Nc3cccc4occc34)ncnc2cc1OCC(O)CN1CCCCC1
InChIInChI=1S/C25H28N4O4/c1-31-23-12-19-21(13-24(23)33-15-17(30)14-29-9-3-2-4-10-29)26-16-27-25(19)28-20-6-5-7-22-18(20)8-11-32-22/h5-8,11-13,16-17,30H,2-4,9-10,14-15H2,1H3,(H,26,27,28)
InChIKeyOXGORLMHKIFENO-UHFFFAOYSA-N
MW448.52 g/mol
LogP4.35
Rot. Bonds8

About 1-[4-(1-benzofuran-4-ylamino)-6-methoxyquinazolin-7-yl]oxy-3-piperidin-1-ylpropan-2-ol

1-[4-(1-benzofuran-4-ylamino)-6-methoxyquinazolin-7-yl]oxy-3-piperidin-1-ylpropan-2-ol (PubChem CID 10160964) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is 1-[4-(1-benzofuran-4-ylamino)-6-methoxyquinazolin-7-yl]oxy-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(1-benzofuran-4-ylamino)-6-methoxyquinazolin-7-yl]oxy-3-piperidin-1-ylpropan-2-ol
PubChem CID10160964
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name1-[4-(1-benzofuran-4-ylamino)-6-methoxyquinazolin-7-yl]oxy-3-piperidin-1-ylpropan-2-ol
SMILESCOc1cc2c(Nc3cccc4occc34)ncnc2cc1OCC(O)CN1CCCCC1
InChIInChI=1S/C25H28N4O4/c1-31-23-12-19-21(13-24(23)33-15-17(30)14-29-9-3-2-4-10-29)26-16-27-25(19)28-20-6-5-7-22-18(20)8-11-32-22/h5-8,11-13,16-17,30H,2-4,9-10,14-15H2,1H3,(H,26,27,28)
InChIKeyOXGORLMHKIFENO-UHFFFAOYSA-N
XLogP4.35
TPSA92.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-benzofuran-4-ylamino)-6-methoxyquinazolin-7-yl]oxy-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of 1-[4-(1-benzofuran-4-ylamino)-6-methoxyquinazolin-7-yl]oxy-3-piperidin-1-ylpropan-2-ol (CID 10160964) is 1-[4-(1-benzofuran-4-ylamino)-6-methoxyquinazolin-7-yl]oxy-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[4-(1-benzofuran-4-ylamino)-6-methoxyquinazolin-7-yl]oxy-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[4-(1-benzofuran-4-ylamino)-6-methoxyquinazolin-7-yl]oxy-3-piperidin-1-ylpropan-2-ol is COc1cc2c(Nc3cccc4occc34)ncnc2cc1OCC(O)CN1CCCCC1.
What is the InChIKey of 1-[4-(1-benzofuran-4-ylamino)-6-methoxyquinazolin-7-yl]oxy-3-piperidin-1-ylpropan-2-ol?
The InChIKey is OXGORLMHKIFENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-31-23-12-19-21(13-24(23)33-15-17(30)14-29-9-3-2-4-10-29)26-16-27-25(19)28-20-6-5-7-22-18(20)8-11-32-22/h5-8,11-13,16-17,30H,2-4,9-10,14-15H2,1H3,(H,26,27,28).
What are the key properties of 1-[4-(1-benzofuran-4-ylamino)-6-methoxyquinazolin-7-yl]oxy-3-piperidin-1-ylpropan-2-ol?
1-[4-(1-benzofuran-4-ylamino)-6-methoxyquinazolin-7-yl]oxy-3-piperidin-1-ylpropan-2-ol has a molecular weight of 448.52 g/mol, XLogP of 4.35, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-benzofuran-4-ylamino)-6-methoxyquinazolin-7-yl]oxy-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 10160964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).