3-(2-fluoropropyl)-8-methoxyquinazolin-4-one

C12H13FN2O2 — CID 166295179

IUPAC3-(2-fluoropropyl)-8-methoxyquinazolin-4-one
SMILESCOc1cccc2c(=O)n(CC(C)F)cnc12
InChIInChI=1S/C12H13FN2O2/c1-8(13)6-15-7-14-11-9(12(15)16)4-3-5-10(11)17-2/h3-5,7-8H,6H2,1-2H3
InChIKeyMMYZORQULIBZQG-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.76
Rot. Bonds3

About 3-(2-fluoropropyl)-8-methoxyquinazolin-4-one

3-(2-fluoropropyl)-8-methoxyquinazolin-4-one (PubChem CID 166295179) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 3-(2-fluoropropyl)-8-methoxyquinazolin-4-one.

Molecular Properties

Compound Name3-(2-fluoropropyl)-8-methoxyquinazolin-4-one
PubChem CID166295179
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name3-(2-fluoropropyl)-8-methoxyquinazolin-4-one
SMILESCOc1cccc2c(=O)n(CC(C)F)cnc12
InChIInChI=1S/C12H13FN2O2/c1-8(13)6-15-7-14-11-9(12(15)16)4-3-5-10(11)17-2/h3-5,7-8H,6H2,1-2H3
InChIKeyMMYZORQULIBZQG-UHFFFAOYSA-N
XLogP1.76
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoropropyl)-8-methoxyquinazolin-4-one?
The IUPAC name of 3-(2-fluoropropyl)-8-methoxyquinazolin-4-one (CID 166295179) is 3-(2-fluoropropyl)-8-methoxyquinazolin-4-one.
What is the SMILES notation for 3-(2-fluoropropyl)-8-methoxyquinazolin-4-one?
The canonical SMILES for 3-(2-fluoropropyl)-8-methoxyquinazolin-4-one is COc1cccc2c(=O)n(CC(C)F)cnc12.
What is the InChIKey of 3-(2-fluoropropyl)-8-methoxyquinazolin-4-one?
The InChIKey is MMYZORQULIBZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c1-8(13)6-15-7-14-11-9(12(15)16)4-3-5-10(11)17-2/h3-5,7-8H,6H2,1-2H3.
What are the key properties of 3-(2-fluoropropyl)-8-methoxyquinazolin-4-one?
3-(2-fluoropropyl)-8-methoxyquinazolin-4-one has a molecular weight of 236.25 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoropropyl)-8-methoxyquinazolin-4-one is sourced from PubChem (CID 166295179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).