7-(7-fluoro-6-methoxyquinazolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane

C16H18FN3O2 — CID 133493393

IUPAC7-(7-fluoro-6-methoxyquinazolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane
SMILESCOc1cc2c(N3CCC4(CCOC4)C3)ncnc2cc1F
InChIInChI=1S/C16H18FN3O2/c1-21-14-6-11-13(7-12(14)17)18-10-19-15(11)20-4-2-16(8-20)3-5-22-9-16/h6-7,10H,2-5,8-9H2,1H3
InChIKeyMVTJKYIIMXIJGH-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.39
Rot. Bonds2

About 7-(7-fluoro-6-methoxyquinazolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane

7-(7-fluoro-6-methoxyquinazolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane (PubChem CID 133493393) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is 7-(7-fluoro-6-methoxyquinazolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name7-(7-fluoro-6-methoxyquinazolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane
PubChem CID133493393
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name7-(7-fluoro-6-methoxyquinazolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane
SMILESCOc1cc2c(N3CCC4(CCOC4)C3)ncnc2cc1F
InChIInChI=1S/C16H18FN3O2/c1-21-14-6-11-13(7-12(14)17)18-10-19-15(11)20-4-2-16(8-20)3-5-22-9-16/h6-7,10H,2-5,8-9H2,1H3
InChIKeyMVTJKYIIMXIJGH-UHFFFAOYSA-N
XLogP2.39
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(7-fluoro-6-methoxyquinazolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of 7-(7-fluoro-6-methoxyquinazolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane (CID 133493393) is 7-(7-fluoro-6-methoxyquinazolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 7-(7-fluoro-6-methoxyquinazolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 7-(7-fluoro-6-methoxyquinazolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane is COc1cc2c(N3CCC4(CCOC4)C3)ncnc2cc1F.
What is the InChIKey of 7-(7-fluoro-6-methoxyquinazolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane?
The InChIKey is MVTJKYIIMXIJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-21-14-6-11-13(7-12(14)17)18-10-19-15(11)20-4-2-16(8-20)3-5-22-9-16/h6-7,10H,2-5,8-9H2,1H3.
What are the key properties of 7-(7-fluoro-6-methoxyquinazolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane?
7-(7-fluoro-6-methoxyquinazolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane has a molecular weight of 303.34 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(7-fluoro-6-methoxyquinazolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 133493393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).