1'-(2,2-diphenylacetyl)-6-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

C27H27N3O2 — CID 42875442

IUPAC1'-(2,2-diphenylacetyl)-6-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESCc1ccc2c(c1)C(=O)NC1(CCN(C(=O)C(c3ccccc3)c3ccccc3)CC1)N2
InChIInChI=1S/C27H27N3O2/c1-19-12-13-23-22(18-19)25(31)29-27(28-23)14-16-30(17-15-27)26(32)24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,18,24,28H,14-17H2,1H3,(H,29,31)
InChIKeyIQFCGXJGVUZWHL-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.30
Rot. Bonds3

About 1'-(2,2-diphenylacetyl)-6-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

1'-(2,2-diphenylacetyl)-6-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (PubChem CID 42875442) has the molecular formula C27H27N3O2 and a molecular weight of 425.53 g/mol. Its IUPAC name is 1'-(2,2-diphenylacetyl)-6-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(2,2-diphenylacetyl)-6-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
PubChem CID42875442
Molecular FormulaC27H27N3O2
Molecular Weight425.53 g/mol
Exact Mass425.21
IUPAC Name1'-(2,2-diphenylacetyl)-6-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESCc1ccc2c(c1)C(=O)NC1(CCN(C(=O)C(c3ccccc3)c3ccccc3)CC1)N2
InChIInChI=1S/C27H27N3O2/c1-19-12-13-23-22(18-19)25(31)29-27(28-23)14-16-30(17-15-27)26(32)24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,18,24,28H,14-17H2,1H3,(H,29,31)
InChIKeyIQFCGXJGVUZWHL-UHFFFAOYSA-N
XLogP4.30
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-(2,2-diphenylacetyl)-6-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(2,2-diphenylacetyl)-6-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (CID 42875442) is 1'-(2,2-diphenylacetyl)-6-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(2,2-diphenylacetyl)-6-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(2,2-diphenylacetyl)-6-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is Cc1ccc2c(c1)C(=O)NC1(CCN(C(=O)C(c3ccccc3)c3ccccc3)CC1)N2.
What is the InChIKey of 1'-(2,2-diphenylacetyl)-6-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The InChIKey is IQFCGXJGVUZWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O2/c1-19-12-13-23-22(18-19)25(31)29-27(28-23)14-16-30(17-15-27)26(32)24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,18,24,28H,14-17H2,1H3,(H,29,31).
What are the key properties of 1'-(2,2-diphenylacetyl)-6-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
1'-(2,2-diphenylacetyl)-6-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one has a molecular weight of 425.53 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2,2-diphenylacetyl)-6-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is sourced from PubChem (CID 42875442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).