4-fluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1-benzofuran-3,4'-piperidine]-2-one

C20H20FN3O3 — CID 138594766

IUPAC4-fluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1-benzofuran-3,4'-piperidine]-2-one
SMILESO=C1Oc2cccc(F)c2C12CCN(c1nc3c(c(=O)[nH]1)CCCC3)CC2
InChIInChI=1S/C20H20FN3O3/c21-13-5-3-7-15-16(13)20(18(26)27-15)8-10-24(11-9-20)19-22-14-6-2-1-4-12(14)17(25)23-19/h3,5,7H,1-2,4,6,8-11H2,(H,22,23,25)
InChIKeyBLUROTQBZCATRL-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.24
Rot. Bonds1

About 4-fluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1-benzofuran-3,4'-piperidine]-2-one

4-fluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1-benzofuran-3,4'-piperidine]-2-one (PubChem CID 138594766) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is 4-fluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1-benzofuran-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name4-fluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1-benzofuran-3,4'-piperidine]-2-one
PubChem CID138594766
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Name4-fluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1-benzofuran-3,4'-piperidine]-2-one
SMILESO=C1Oc2cccc(F)c2C12CCN(c1nc3c(c(=O)[nH]1)CCCC3)CC2
InChIInChI=1S/C20H20FN3O3/c21-13-5-3-7-15-16(13)20(18(26)27-15)8-10-24(11-9-20)19-22-14-6-2-1-4-12(14)17(25)23-19/h3,5,7H,1-2,4,6,8-11H2,(H,22,23,25)
InChIKeyBLUROTQBZCATRL-UHFFFAOYSA-N
XLogP2.24
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 4-fluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1-benzofuran-3,4'-piperidine]-2-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

1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1-benzofuran-3,4'-piperidine]-2-one
CID 138594785
2-[4-(2-methoxyphenyl)piperidin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136268378
2-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 138594436
(3R)-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1-benzofuran-3,4'-2,3-dihydropyridine]-2-one
CID 137628285
2-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl-3,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-4-one
CID 138594461
4-methoxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 138594795
2-(dimethylamino)-1'-[(6,7-dimethyl-2-oxo-2H-chromen-4-yl)methyl]-5,6-dihydrospiro[cyclopenta[d]pyrimidine-7,4'-piperidin]-4(3H)-one
CID 172427071

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1-benzofuran-3,4'-piperidine]-2-one?
The IUPAC name of 4-fluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1-benzofuran-3,4'-piperidine]-2-one (CID 138594766) is 4-fluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1-benzofuran-3,4'-piperidine]-2-one.
What is the SMILES notation for 4-fluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1-benzofuran-3,4'-piperidine]-2-one?
The canonical SMILES for 4-fluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1-benzofuran-3,4'-piperidine]-2-one is O=C1Oc2cccc(F)c2C12CCN(c1nc3c(c(=O)[nH]1)CCCC3)CC2.
What is the InChIKey of 4-fluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1-benzofuran-3,4'-piperidine]-2-one?
The InChIKey is BLUROTQBZCATRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c21-13-5-3-7-15-16(13)20(18(26)27-15)8-10-24(11-9-20)19-22-14-6-2-1-4-12(14)17(25)23-19/h3,5,7H,1-2,4,6,8-11H2,(H,22,23,25).
What are the key properties of 4-fluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1-benzofuran-3,4'-piperidine]-2-one?
4-fluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1-benzofuran-3,4'-piperidine]-2-one has a molecular weight of 369.40 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1-benzofuran-3,4'-piperidine]-2-one is sourced from PubChem (CID 138594766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).