1-ethyl-1'-[2-(4-methoxyphenyl)acetyl]-6-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one

C24H29N3O3 — CID 53169446

IUPAC1-ethyl-1'-[2-(4-methoxyphenyl)acetyl]-6-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one
SMILESCCN1c2ccc(C)cc2C(=O)NC12CCN(C(=O)Cc1ccc(OC)cc1)CC2
InChIInChI=1S/C24H29N3O3/c1-4-27-21-10-5-17(2)15-20(21)23(29)25-24(27)11-13-26(14-12-24)22(28)16-18-6-8-19(30-3)9-7-18/h5-10,15H,4,11-14,16H2,1-3H3,(H,25,29)
InChIKeyGANDHPOXQDEHKV-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.13
Rot. Bonds4

About 1-ethyl-1'-[2-(4-methoxyphenyl)acetyl]-6-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one

1-ethyl-1'-[2-(4-methoxyphenyl)acetyl]-6-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one (PubChem CID 53169446) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 1-ethyl-1'-[2-(4-methoxyphenyl)acetyl]-6-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1-ethyl-1'-[2-(4-methoxyphenyl)acetyl]-6-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one
PubChem CID53169446
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name1-ethyl-1'-[2-(4-methoxyphenyl)acetyl]-6-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one
SMILESCCN1c2ccc(C)cc2C(=O)NC12CCN(C(=O)Cc1ccc(OC)cc1)CC2
InChIInChI=1S/C24H29N3O3/c1-4-27-21-10-5-17(2)15-20(21)23(29)25-24(27)11-13-26(14-12-24)22(28)16-18-6-8-19(30-3)9-7-18/h5-10,15H,4,11-14,16H2,1-3H3,(H,25,29)
InChIKeyGANDHPOXQDEHKV-UHFFFAOYSA-N
XLogP3.13
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-1'-[2-(4-methoxyphenyl)acetyl]-6-methylspiro[3H-quinazoline-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

1'-(4-ethoxybenzoyl)-1-ethyl-6-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one
CID 53169443
N-(4-methoxyphenyl)-1,6-dimethyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169562
1'-(3,5-dimethylbenzoyl)-1-ethyl-6-fluorospiro[3H-quinazoline-2,4'-piperidine]-4-one
CID 53169465
7-chloro-1-ethyl-N-(4-methoxy-2-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169651
8-[2-(4-methoxyphenyl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 110668791
1-(8-bromospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-2-(4-methoxyphenyl)ethanone
CID 70814253
N,N-diethyl-4-[2-(4-methoxyphenyl)acetyl]piperazine-1-carboxamide
CID 110365832
2-(4-methoxyphenyl)-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]ethanone
CID 113076293
2-(4-methoxyphenyl)-1-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 48867699
6,8-dichloro-1'-[2-(4-methoxyphenyl)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735520
N-benzyl-1,6-dimethyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169557
2-benzyl-8-[2-(4-methoxyphenyl)acetyl]-4-methyl-1,4,8-triazaspiro[4.5]decan-3-one
CID 67164883

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1'-[2-(4-methoxyphenyl)acetyl]-6-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one?
The IUPAC name of 1-ethyl-1'-[2-(4-methoxyphenyl)acetyl]-6-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one (CID 53169446) is 1-ethyl-1'-[2-(4-methoxyphenyl)acetyl]-6-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one.
What is the SMILES notation for 1-ethyl-1'-[2-(4-methoxyphenyl)acetyl]-6-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one?
The canonical SMILES for 1-ethyl-1'-[2-(4-methoxyphenyl)acetyl]-6-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one is CCN1c2ccc(C)cc2C(=O)NC12CCN(C(=O)Cc1ccc(OC)cc1)CC2.
What is the InChIKey of 1-ethyl-1'-[2-(4-methoxyphenyl)acetyl]-6-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one?
The InChIKey is GANDHPOXQDEHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-4-27-21-10-5-17(2)15-20(21)23(29)25-24(27)11-13-26(14-12-24)22(28)16-18-6-8-19(30-3)9-7-18/h5-10,15H,4,11-14,16H2,1-3H3,(H,25,29).
What are the key properties of 1-ethyl-1'-[2-(4-methoxyphenyl)acetyl]-6-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one?
1-ethyl-1'-[2-(4-methoxyphenyl)acetyl]-6-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one has a molecular weight of 407.51 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1'-[2-(4-methoxyphenyl)acetyl]-6-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one is sourced from PubChem (CID 53169446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).