2-fluoro-3-phenylquinazolin-4-one;3-phenylquinazolin-4-one

C28H19FN4O2 — CID 118168715

IUPAC2-fluoro-3-phenylquinazolin-4-one;3-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(F)n1-c1ccccc1.O=c1c2ccccc2ncn1-c1ccccc1
InChIInChI=1S/C14H9FN2O.C14H10N2O/c15-14-16-12-9-5-4-8-11(12)13(18)17(14)10-6-2-1-3-7-10;17-14-12-8-4-5-9-13(12)15-10-16(14)11-6-2-1-3-7-11/h1-9H;1-10H
InChIKeyMAZMUPHGCLIMRT-UHFFFAOYSA-N
MW462.48 g/mol
LogP4.91
Rot. Bonds2

About 2-fluoro-3-phenylquinazolin-4-one;3-phenylquinazolin-4-one

2-fluoro-3-phenylquinazolin-4-one;3-phenylquinazolin-4-one (PubChem CID 118168715) has the molecular formula C28H19FN4O2 and a molecular weight of 462.48 g/mol. Its IUPAC name is 2-fluoro-3-phenylquinazolin-4-one;3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-fluoro-3-phenylquinazolin-4-one;3-phenylquinazolin-4-one
PubChem CID118168715
Molecular FormulaC28H19FN4O2
Molecular Weight462.48 g/mol
Exact Mass462.15
IUPAC Name2-fluoro-3-phenylquinazolin-4-one;3-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(F)n1-c1ccccc1.O=c1c2ccccc2ncn1-c1ccccc1
InChIInChI=1S/C14H9FN2O.C14H10N2O/c15-14-16-12-9-5-4-8-11(12)13(18)17(14)10-6-2-1-3-7-10;17-14-12-8-4-5-9-13(12)15-10-16(14)11-6-2-1-3-7-11/h1-9H;1-10H
InChIKeyMAZMUPHGCLIMRT-UHFFFAOYSA-N
XLogP4.91
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.48
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-fluoro-3-phenylquinazolin-4-one;3-phenylquinazolin-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

3-[3,5-bis(trifluoromethyl)phenyl]quinazolin-4-one
CID 3116934
CID 144763920
CID 144763920
3-[4-(dimethylamino)phenyl]quinazolin-4-one
CID 7719422
3-(4-oxoquinazolin-3-yl)benzoic acid
CID 7749421
2-ethyl-3-phenylquinazolin-4-one
CID 719985
4-(4-oxoquinazolin-3-yl)benzene-1,2-dicarbonitrile
CID 683491
2-ethoxy-3-phenylquinazolin-4-one
CID 71404213
4-(4-oxoquinazolin-3-yl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 7718534
2-[(cyclohexylamino)methyl]-3-phenylquinazolin-4-one
CID 12547467
8-amino-3-phenylquinazolin-4-one
CID 90152792
3-thiophen-2-ylquinazolin-4-one
CID 14492504
3-phthalazin-1-ylquinazolin-4-one
CID 91403899

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-phenylquinazolin-4-one;3-phenylquinazolin-4-one?
The IUPAC name of 2-fluoro-3-phenylquinazolin-4-one;3-phenylquinazolin-4-one (CID 118168715) is 2-fluoro-3-phenylquinazolin-4-one;3-phenylquinazolin-4-one.
What is the SMILES notation for 2-fluoro-3-phenylquinazolin-4-one;3-phenylquinazolin-4-one?
The canonical SMILES for 2-fluoro-3-phenylquinazolin-4-one;3-phenylquinazolin-4-one is O=c1c2ccccc2nc(F)n1-c1ccccc1.O=c1c2ccccc2ncn1-c1ccccc1.
What is the InChIKey of 2-fluoro-3-phenylquinazolin-4-one;3-phenylquinazolin-4-one?
The InChIKey is MAZMUPHGCLIMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O.C14H10N2O/c15-14-16-12-9-5-4-8-11(12)13(18)17(14)10-6-2-1-3-7-10;17-14-12-8-4-5-9-13(12)15-10-16(14)11-6-2-1-3-7-11/h1-9H;1-10H.
What are the key properties of 2-fluoro-3-phenylquinazolin-4-one;3-phenylquinazolin-4-one?
2-fluoro-3-phenylquinazolin-4-one;3-phenylquinazolin-4-one has a molecular weight of 462.48 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-phenylquinazolin-4-one;3-phenylquinazolin-4-one is sourced from PubChem (CID 118168715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).