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

C20H20ClN3O2 — CID 42875396

IUPAC6-chloro-1'-(2-phenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESO=C1NC2(CCN(C(=O)Cc3ccccc3)CC2)Nc2ccc(Cl)cc21
InChIInChI=1S/C20H20ClN3O2/c21-15-6-7-17-16(13-15)19(26)23-20(22-17)8-10-24(11-9-20)18(25)12-14-4-2-1-3-5-14/h1-7,13,22H,8-12H2,(H,23,26)
InChIKeyLMPDDZGCZAONRE-UHFFFAOYSA-N
MW369.85 g/mol
LogP3.06
Rot. Bonds2

About 6-chloro-1'-(2-phenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

6-chloro-1'-(2-phenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (PubChem CID 42875396) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 6-chloro-1'-(2-phenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name6-chloro-1'-(2-phenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
PubChem CID42875396
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name6-chloro-1'-(2-phenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESO=C1NC2(CCN(C(=O)Cc3ccccc3)CC2)Nc2ccc(Cl)cc21
InChIInChI=1S/C20H20ClN3O2/c21-15-6-7-17-16(13-15)19(26)23-20(22-17)8-10-24(11-9-20)18(25)12-14-4-2-1-3-5-14/h1-7,13,22H,8-12H2,(H,23,26)
InChIKeyLMPDDZGCZAONRE-UHFFFAOYSA-N
XLogP3.06
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1'-(2-phenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The IUPAC name of 6-chloro-1'-(2-phenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (CID 42875396) is 6-chloro-1'-(2-phenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.
What is the SMILES notation for 6-chloro-1'-(2-phenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The canonical SMILES for 6-chloro-1'-(2-phenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is O=C1NC2(CCN(C(=O)Cc3ccccc3)CC2)Nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1'-(2-phenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The InChIKey is LMPDDZGCZAONRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c21-15-6-7-17-16(13-15)19(26)23-20(22-17)8-10-24(11-9-20)18(25)12-14-4-2-1-3-5-14/h1-7,13,22H,8-12H2,(H,23,26).
What are the key properties of 6-chloro-1'-(2-phenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
6-chloro-1'-(2-phenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one has a molecular weight of 369.85 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1'-(2-phenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is sourced from PubChem (CID 42875396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).