8-methyl-1'-(2-methylpropyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

C17H25N3O — CID 42875634

IUPAC8-methyl-1'-(2-methylpropyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESCc1cccc2c1NC1(CCN(CC(C)C)CC1)NC2=O
InChIInChI=1S/C17H25N3O/c1-12(2)11-20-9-7-17(8-10-20)18-15-13(3)5-4-6-14(15)16(21)19-17/h4-6,12,18H,7-11H2,1-3H3,(H,19,21)
InChIKeySKGHLFWBGDGBFW-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.60
Rot. Bonds2

About 8-methyl-1'-(2-methylpropyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

8-methyl-1'-(2-methylpropyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (PubChem CID 42875634) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 8-methyl-1'-(2-methylpropyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name8-methyl-1'-(2-methylpropyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
PubChem CID42875634
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name8-methyl-1'-(2-methylpropyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESCc1cccc2c1NC1(CCN(CC(C)C)CC1)NC2=O
InChIInChI=1S/C17H25N3O/c1-12(2)11-20-9-7-17(8-10-20)18-15-13(3)5-4-6-14(15)16(21)19-17/h4-6,12,18H,7-11H2,1-3H3,(H,19,21)
InChIKeySKGHLFWBGDGBFW-UHFFFAOYSA-N
XLogP2.60
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1'-(2-methylpropyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The IUPAC name of 8-methyl-1'-(2-methylpropyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (CID 42875634) is 8-methyl-1'-(2-methylpropyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.
What is the SMILES notation for 8-methyl-1'-(2-methylpropyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The canonical SMILES for 8-methyl-1'-(2-methylpropyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is Cc1cccc2c1NC1(CCN(CC(C)C)CC1)NC2=O.
What is the InChIKey of 8-methyl-1'-(2-methylpropyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The InChIKey is SKGHLFWBGDGBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12(2)11-20-9-7-17(8-10-20)18-15-13(3)5-4-6-14(15)16(21)19-17/h4-6,12,18H,7-11H2,1-3H3,(H,19,21).
What are the key properties of 8-methyl-1'-(2-methylpropyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
8-methyl-1'-(2-methylpropyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one has a molecular weight of 287.41 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1'-(2-methylpropyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is sourced from PubChem (CID 42875634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).