4-(7-fluoro-6-methoxyquinazolin-4-yl)-2-(oxolan-2-yl)morpholine

C17H20FN3O3 — CID 133493384

IUPAC4-(7-fluoro-6-methoxyquinazolin-4-yl)-2-(oxolan-2-yl)morpholine
SMILESCOc1cc2c(N3CCOC(C4CCCO4)C3)ncnc2cc1F
InChIInChI=1S/C17H20FN3O3/c1-22-15-7-11-13(8-12(15)18)19-10-20-17(11)21-4-6-24-16(9-21)14-3-2-5-23-14/h7-8,10,14,16H,2-6,9H2,1H3
InChIKeyZTFAPSFMYQEGAW-UHFFFAOYSA-N
MW333.36 g/mol
LogP2.16
Rot. Bonds3

About 4-(7-fluoro-6-methoxyquinazolin-4-yl)-2-(oxolan-2-yl)morpholine

4-(7-fluoro-6-methoxyquinazolin-4-yl)-2-(oxolan-2-yl)morpholine (PubChem CID 133493384) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 4-(7-fluoro-6-methoxyquinazolin-4-yl)-2-(oxolan-2-yl)morpholine.

Molecular Properties

Compound Name4-(7-fluoro-6-methoxyquinazolin-4-yl)-2-(oxolan-2-yl)morpholine
PubChem CID133493384
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name4-(7-fluoro-6-methoxyquinazolin-4-yl)-2-(oxolan-2-yl)morpholine
SMILESCOc1cc2c(N3CCOC(C4CCCO4)C3)ncnc2cc1F
InChIInChI=1S/C17H20FN3O3/c1-22-15-7-11-13(8-12(15)18)19-10-20-17(11)21-4-6-24-16(9-21)14-3-2-5-23-14/h7-8,10,14,16H,2-6,9H2,1H3
InChIKeyZTFAPSFMYQEGAW-UHFFFAOYSA-N
XLogP2.16
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(7-fluoro-6-methoxyquinazolin-4-yl)-2-(oxolan-2-yl)morpholine?
The IUPAC name of 4-(7-fluoro-6-methoxyquinazolin-4-yl)-2-(oxolan-2-yl)morpholine (CID 133493384) is 4-(7-fluoro-6-methoxyquinazolin-4-yl)-2-(oxolan-2-yl)morpholine.
What is the SMILES notation for 4-(7-fluoro-6-methoxyquinazolin-4-yl)-2-(oxolan-2-yl)morpholine?
The canonical SMILES for 4-(7-fluoro-6-methoxyquinazolin-4-yl)-2-(oxolan-2-yl)morpholine is COc1cc2c(N3CCOC(C4CCCO4)C3)ncnc2cc1F.
What is the InChIKey of 4-(7-fluoro-6-methoxyquinazolin-4-yl)-2-(oxolan-2-yl)morpholine?
The InChIKey is ZTFAPSFMYQEGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-22-15-7-11-13(8-12(15)18)19-10-20-17(11)21-4-6-24-16(9-21)14-3-2-5-23-14/h7-8,10,14,16H,2-6,9H2,1H3.
What are the key properties of 4-(7-fluoro-6-methoxyquinazolin-4-yl)-2-(oxolan-2-yl)morpholine?
4-(7-fluoro-6-methoxyquinazolin-4-yl)-2-(oxolan-2-yl)morpholine has a molecular weight of 333.36 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-fluoro-6-methoxyquinazolin-4-yl)-2-(oxolan-2-yl)morpholine is sourced from PubChem (CID 133493384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).