3-[2-(2-fluorophenyl)-2-hydroxyethyl]-8-methylquinazolin-4-one

C17H15FN2O2 — CID 111149302

IUPAC3-[2-(2-fluorophenyl)-2-hydroxyethyl]-8-methylquinazolin-4-one
SMILESCc1cccc2c(=O)n(CC(O)c3ccccc3F)cnc12
InChIInChI=1S/C17H15FN2O2/c1-11-5-4-7-13-16(11)19-10-20(17(13)22)9-15(21)12-6-2-3-8-14(12)18/h2-8,10,15,21H,9H2,1H3
InChIKeyGFGPXCZMVVCNHW-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.58
Rot. Bonds3

About 3-[2-(2-fluorophenyl)-2-hydroxyethyl]-8-methylquinazolin-4-one

3-[2-(2-fluorophenyl)-2-hydroxyethyl]-8-methylquinazolin-4-one (PubChem CID 111149302) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 3-[2-(2-fluorophenyl)-2-hydroxyethyl]-8-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[2-(2-fluorophenyl)-2-hydroxyethyl]-8-methylquinazolin-4-one
PubChem CID111149302
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name3-[2-(2-fluorophenyl)-2-hydroxyethyl]-8-methylquinazolin-4-one
SMILESCc1cccc2c(=O)n(CC(O)c3ccccc3F)cnc12
InChIInChI=1S/C17H15FN2O2/c1-11-5-4-7-13-16(11)19-10-20(17(13)22)9-15(21)12-6-2-3-8-14(12)18/h2-8,10,15,21H,9H2,1H3
InChIKeyGFGPXCZMVVCNHW-UHFFFAOYSA-N
XLogP2.58
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluorophenyl)-2-hydroxyethyl]-8-methylquinazolin-4-one?
The IUPAC name of 3-[2-(2-fluorophenyl)-2-hydroxyethyl]-8-methylquinazolin-4-one (CID 111149302) is 3-[2-(2-fluorophenyl)-2-hydroxyethyl]-8-methylquinazolin-4-one.
What is the SMILES notation for 3-[2-(2-fluorophenyl)-2-hydroxyethyl]-8-methylquinazolin-4-one?
The canonical SMILES for 3-[2-(2-fluorophenyl)-2-hydroxyethyl]-8-methylquinazolin-4-one is Cc1cccc2c(=O)n(CC(O)c3ccccc3F)cnc12.
What is the InChIKey of 3-[2-(2-fluorophenyl)-2-hydroxyethyl]-8-methylquinazolin-4-one?
The InChIKey is GFGPXCZMVVCNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-11-5-4-7-13-16(11)19-10-20(17(13)22)9-15(21)12-6-2-3-8-14(12)18/h2-8,10,15,21H,9H2,1H3.
What are the key properties of 3-[2-(2-fluorophenyl)-2-hydroxyethyl]-8-methylquinazolin-4-one?
3-[2-(2-fluorophenyl)-2-hydroxyethyl]-8-methylquinazolin-4-one has a molecular weight of 298.32 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluorophenyl)-2-hydroxyethyl]-8-methylquinazolin-4-one is sourced from PubChem (CID 111149302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).