5-chloro-1'-(2,2-diphenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

C26H24ClN3O2 — CID 42875507

IUPAC5-chloro-1'-(2,2-diphenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESO=C1NC2(CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)Nc2cccc(Cl)c21
InChIInChI=1S/C26H24ClN3O2/c27-20-12-7-13-21-23(20)24(31)29-26(28-21)14-16-30(17-15-26)25(32)22(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,22,28H,14-17H2,(H,29,31)
InChIKeyDYIBRSOQDDFDGS-UHFFFAOYSA-N
MW445.95 g/mol
LogP4.65
Rot. Bonds3

About 5-chloro-1'-(2,2-diphenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

5-chloro-1'-(2,2-diphenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (PubChem CID 42875507) has the molecular formula C26H24ClN3O2 and a molecular weight of 445.95 g/mol. Its IUPAC name is 5-chloro-1'-(2,2-diphenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name5-chloro-1'-(2,2-diphenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
PubChem CID42875507
Molecular FormulaC26H24ClN3O2
Molecular Weight445.95 g/mol
Exact Mass445.16
IUPAC Name5-chloro-1'-(2,2-diphenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESO=C1NC2(CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)Nc2cccc(Cl)c21
InChIInChI=1S/C26H24ClN3O2/c27-20-12-7-13-21-23(20)24(31)29-26(28-21)14-16-30(17-15-26)25(32)22(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,22,28H,14-17H2,(H,29,31)
InChIKeyDYIBRSOQDDFDGS-UHFFFAOYSA-N
XLogP4.65
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.95
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1'-(2,2-diphenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The IUPAC name of 5-chloro-1'-(2,2-diphenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (CID 42875507) is 5-chloro-1'-(2,2-diphenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.
What is the SMILES notation for 5-chloro-1'-(2,2-diphenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The canonical SMILES for 5-chloro-1'-(2,2-diphenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is O=C1NC2(CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)Nc2cccc(Cl)c21.
What is the InChIKey of 5-chloro-1'-(2,2-diphenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The InChIKey is DYIBRSOQDDFDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O2/c27-20-12-7-13-21-23(20)24(31)29-26(28-21)14-16-30(17-15-26)25(32)22(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,22,28H,14-17H2,(H,29,31).
What are the key properties of 5-chloro-1'-(2,2-diphenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
5-chloro-1'-(2,2-diphenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one has a molecular weight of 445.95 g/mol, XLogP of 4.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1'-(2,2-diphenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is sourced from PubChem (CID 42875507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).