8-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

C13H17N3O — CID 24715101

IUPAC8-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESCc1cccc2c1NC1(CCNCC1)NC2=O
InChIInChI=1S/C13H17N3O/c1-9-3-2-4-10-11(9)15-13(16-12(10)17)5-7-14-8-6-13/h2-4,14-15H,5-8H2,1H3,(H,16,17)
InChIKeyWBXMJWVRPVVHRW-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.23
Rot. Bonds

About 8-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

8-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (PubChem CID 24715101) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 8-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name8-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
PubChem CID24715101
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name8-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESCc1cccc2c1NC1(CCNCC1)NC2=O
InChIInChI=1S/C13H17N3O/c1-9-3-2-4-10-11(9)15-13(16-12(10)17)5-7-14-8-6-13/h2-4,14-15H,5-8H2,1H3,(H,16,17)
InChIKeyWBXMJWVRPVVHRW-UHFFFAOYSA-N
XLogP1.23
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 8-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-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

8-methyl-1'-(2-methylpropyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875634
spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one;hydrochloride
CID 68664926
1'-(4-bromophenyl)sulfonyl-8-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46077889
1'-[(2,4-dimethoxyphenyl)methyl]-8-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875635
(5aR)-5a,8-dimethyl-1,2,3,4,5,6-hexahydro-[1,4]diazepino[1,7-a]quinazolin-7-one
CID 58688229
3-ethyl-8-methylspiro[1H-quinazoline-2,1'-cyclohexane]-4-one
CID 141349143
6-chlorospiro[2H-isoindole-3,4'-piperidine]-1-one
CID 84727449
8-methylspiro[1,3-dihydroquinazoline-4,1'-cyclopropane]-2-one
CID 115017507
1-ethylspiro[3H-quinazoline-2,4'-piperidine]-4-one
CID 53337683
1-methylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one
CID 46950560
8-chloro-N-cyclohexyl-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169652
6-methyl-1,2,3,4,5,9b-hexahydropyrido[4,3-b]indol-4a-amine
CID 153374670

Frequently Asked Questions

What is the IUPAC name of 8-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The IUPAC name of 8-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (CID 24715101) is 8-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.
What is the SMILES notation for 8-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The canonical SMILES for 8-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is Cc1cccc2c1NC1(CCNCC1)NC2=O.
What is the InChIKey of 8-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The InChIKey is WBXMJWVRPVVHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-3-2-4-10-11(9)15-13(16-12(10)17)5-7-14-8-6-13/h2-4,14-15H,5-8H2,1H3,(H,16,17).
What are the key properties of 8-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
8-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one has a molecular weight of 231.30 g/mol, XLogP of 1.23, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is sourced from PubChem (CID 24715101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).