2-(2-fluoro-6-methoxyphenyl)-3,7-dimethylquinazolin-4-one

C17H15FN2O2 — CID 67518414

IUPAC2-(2-fluoro-6-methoxyphenyl)-3,7-dimethylquinazolin-4-one
SMILESCOc1cccc(F)c1-c1nc2cc(C)ccc2c(=O)n1C
InChIInChI=1S/C17H15FN2O2/c1-10-7-8-11-13(9-10)19-16(20(2)17(11)21)15-12(18)5-4-6-14(15)22-3/h4-9H,1-3H3
InChIKeyNYIQQJZTPYZXDO-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.06
Rot. Bonds2

About 2-(2-fluoro-6-methoxyphenyl)-3,7-dimethylquinazolin-4-one

2-(2-fluoro-6-methoxyphenyl)-3,7-dimethylquinazolin-4-one (PubChem CID 67518414) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 2-(2-fluoro-6-methoxyphenyl)-3,7-dimethylquinazolin-4-one.

Molecular Properties

Compound Name2-(2-fluoro-6-methoxyphenyl)-3,7-dimethylquinazolin-4-one
PubChem CID67518414
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name2-(2-fluoro-6-methoxyphenyl)-3,7-dimethylquinazolin-4-one
SMILESCOc1cccc(F)c1-c1nc2cc(C)ccc2c(=O)n1C
InChIInChI=1S/C17H15FN2O2/c1-10-7-8-11-13(9-10)19-16(20(2)17(11)21)15-12(18)5-4-6-14(15)22-3/h4-9H,1-3H3
InChIKeyNYIQQJZTPYZXDO-UHFFFAOYSA-N
XLogP3.06
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-6-methoxyphenyl)-3,7-dimethylquinazolin-4-one?
The IUPAC name of 2-(2-fluoro-6-methoxyphenyl)-3,7-dimethylquinazolin-4-one (CID 67518414) is 2-(2-fluoro-6-methoxyphenyl)-3,7-dimethylquinazolin-4-one.
What is the SMILES notation for 2-(2-fluoro-6-methoxyphenyl)-3,7-dimethylquinazolin-4-one?
The canonical SMILES for 2-(2-fluoro-6-methoxyphenyl)-3,7-dimethylquinazolin-4-one is COc1cccc(F)c1-c1nc2cc(C)ccc2c(=O)n1C.
What is the InChIKey of 2-(2-fluoro-6-methoxyphenyl)-3,7-dimethylquinazolin-4-one?
The InChIKey is NYIQQJZTPYZXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-10-7-8-11-13(9-10)19-16(20(2)17(11)21)15-12(18)5-4-6-14(15)22-3/h4-9H,1-3H3.
What are the key properties of 2-(2-fluoro-6-methoxyphenyl)-3,7-dimethylquinazolin-4-one?
2-(2-fluoro-6-methoxyphenyl)-3,7-dimethylquinazolin-4-one has a molecular weight of 298.32 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-6-methoxyphenyl)-3,7-dimethylquinazolin-4-one is sourced from PubChem (CID 67518414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).