N-(4-fluorophenyl)-2-[3-[3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide

C28H21F2N3O3 — CID 4516747

IUPACN-(4-fluorophenyl)-2-[3-[3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
SMILESO=C(COc1cccc(C2Nc3ccccc3C(=O)N2c2ccc(F)cc2)c1)Nc1ccc(F)cc1
InChIInChI=1S/C28H21F2N3O3/c29-19-8-12-21(13-9-19)31-26(34)17-36-23-5-3-4-18(16-23)27-32-25-7-2-1-6-24(25)28(35)33(27)22-14-10-20(30)11-15-22/h1-16,27,32H,17H2,(H,31,34)
InChIKeyPLBXCOFPEMLMLH-UHFFFAOYSA-N
MW485.49 g/mol
LogP5.75
Rot. Bonds6

About N-(4-fluorophenyl)-2-[3-[3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide

N-(4-fluorophenyl)-2-[3-[3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide (PubChem CID 4516747) has the molecular formula C28H21F2N3O3 and a molecular weight of 485.49 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[3-[3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[3-[3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
PubChem CID4516747
Molecular FormulaC28H21F2N3O3
Molecular Weight485.49 g/mol
Exact Mass485.16
IUPAC NameN-(4-fluorophenyl)-2-[3-[3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
SMILESO=C(COc1cccc(C2Nc3ccccc3C(=O)N2c2ccc(F)cc2)c1)Nc1ccc(F)cc1
InChIInChI=1S/C28H21F2N3O3/c29-19-8-12-21(13-9-19)31-26(34)17-36-23-5-3-4-18(16-23)27-32-25-7-2-1-6-24(25)28(35)33(27)22-14-10-20(30)11-15-22/h1-16,27,32H,17H2,(H,31,34)
InChIKeyPLBXCOFPEMLMLH-UHFFFAOYSA-N
XLogP5.75
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.49
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2S)-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl]phenyl]acetamide
CID 41064100
2-[4-[(2S)-2-(3-nitrophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenoxy]acetic acid
CID 40788977
3-(4-chlorophenyl)-2-(3-fluorophenyl)-1,2-dihydroquinazolin-4-one
CID 2888645
N-[3-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]propanamide
CID 18870253
3-(4-tert-butylphenyl)-2-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 176687475
4-[3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid
CID 43000917
N-(4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)-2-phenoxyacetamide
CID 18886893
N-ethyl-2-[2-methoxy-4-[3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
CID 55355452
3-(4-fluorophenyl)-2-[3-methoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 17431478
3-[2-(4-fluoroanilino)-2-oxoethoxy]benzoic acid
CID 900818
2-[4-[(2S)-3-(4-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetate
CID 9007176
2-(3-fluorophenoxy)-N-phenylacetamide
CID 2709732

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[3-[3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[3-[3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide (CID 4516747) is N-(4-fluorophenyl)-2-[3-[3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[3-[3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[3-[3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide is O=C(COc1cccc(C2Nc3ccccc3C(=O)N2c2ccc(F)cc2)c1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[3-[3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide?
The InChIKey is PLBXCOFPEMLMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F2N3O3/c29-19-8-12-21(13-9-19)31-26(34)17-36-23-5-3-4-18(16-23)27-32-25-7-2-1-6-24(25)28(35)33(27)22-14-10-20(30)11-15-22/h1-16,27,32H,17H2,(H,31,34).
What are the key properties of N-(4-fluorophenyl)-2-[3-[3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide?
N-(4-fluorophenyl)-2-[3-[3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide has a molecular weight of 485.49 g/mol, XLogP of 5.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[3-[3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide is sourced from PubChem (CID 4516747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).