2-(2-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one

C16H13FN2O2 — CID 168551059

IUPAC2-(2-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one
SMILESCCOc1ccc(F)cc1-c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C16H13FN2O2/c1-2-21-14-8-7-10(17)9-12(14)15-18-13-6-4-3-5-11(13)16(20)19-15/h3-9H,2H2,1H3,(H,18,19,20)
InChIKeyQKAXSSGKMRBVPP-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.13
Rot. Bonds3

About 2-(2-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one

2-(2-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one (PubChem CID 168551059) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-(2-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one
PubChem CID168551059
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name2-(2-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one
SMILESCCOc1ccc(F)cc1-c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C16H13FN2O2/c1-2-21-14-8-7-10(17)9-12(14)15-18-13-6-4-3-5-11(13)16(20)19-15/h3-9H,2H2,1H3,(H,18,19,20)
InChIKeyQKAXSSGKMRBVPP-UHFFFAOYSA-N
XLogP3.13
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-ethoxy-5-nitrophenyl)-3H-quinazolin-4-one
CID 139685445
2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 168551308
2-(2-bromo-5-fluorophenyl)-3H-quinazolin-4-one
CID 168550701
2-(4-ethoxy-3-methylphenyl)-3H-quinazolin-4-one
CID 168551046
2-(4-fluoro-2-phenoxyphenyl)-3H-quinazolin-4-one
CID 168553410
2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3H-quinazolin-4-one
CID 135710760
2-(4-ethoxy-2,6-difluorophenyl)-3H-quinazolin-4-one
CID 168553260
2-[4-fluoro-2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one
CID 168552407
2-[2-(2,2-difluoroethoxy)phenyl]-3H-quinazolin-4-one
CID 168552669
[5-bromo-2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenyl] acetate
CID 168551579
2-(4-ethoxy-3,5-dimethylphenyl)-3H-quinazolin-4-one
CID 168551010
2-(2-ethoxyphenyl)-3H-pyrido[3,2-d]pyrimidin-4-one
CID 135670755

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(2-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one (CID 168551059) is 2-(2-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(2-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(2-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one is CCOc1ccc(F)cc1-c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-(2-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one?
The InChIKey is QKAXSSGKMRBVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-2-21-14-8-7-10(17)9-12(14)15-18-13-6-4-3-5-11(13)16(20)19-15/h3-9H,2H2,1H3,(H,18,19,20).
What are the key properties of 2-(2-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one?
2-(2-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one has a molecular weight of 284.29 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 168551059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).