3-(4-methoxyphenyl)-1'-(naphthalen-1-ylmethyl)spiro[1H-quinazoline-2,3'-azetidine]-4-one

C28H25N3O2 — CID 90317156

IUPAC3-(4-methoxyphenyl)-1'-(naphthalen-1-ylmethyl)spiro[1H-quinazoline-2,3'-azetidine]-4-one
SMILESCOc1ccc(N2C(=O)c3ccccc3NC23CN(Cc2cccc4ccccc24)C3)cc1
InChIInChI=1S/C28H25N3O2/c1-33-23-15-13-22(14-16-23)31-27(32)25-11-4-5-12-26(25)29-28(31)18-30(19-28)17-21-9-6-8-20-7-2-3-10-24(20)21/h2-16,29H,17-19H2,1H3
InChIKeyZUGAZVRIIQZJPG-UHFFFAOYSA-N
MW435.53 g/mol
LogP5.13
Rot. Bonds4

About 3-(4-methoxyphenyl)-1'-(naphthalen-1-ylmethyl)spiro[1H-quinazoline-2,3'-azetidine]-4-one

3-(4-methoxyphenyl)-1'-(naphthalen-1-ylmethyl)spiro[1H-quinazoline-2,3'-azetidine]-4-one (PubChem CID 90317156) has the molecular formula C28H25N3O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1'-(naphthalen-1-ylmethyl)spiro[1H-quinazoline-2,3'-azetidine]-4-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1'-(naphthalen-1-ylmethyl)spiro[1H-quinazoline-2,3'-azetidine]-4-one
PubChem CID90317156
Molecular FormulaC28H25N3O2
Molecular Weight435.53 g/mol
Exact Mass435.19
IUPAC Name3-(4-methoxyphenyl)-1'-(naphthalen-1-ylmethyl)spiro[1H-quinazoline-2,3'-azetidine]-4-one
SMILESCOc1ccc(N2C(=O)c3ccccc3NC23CN(Cc2cccc4ccccc24)C3)cc1
InChIInChI=1S/C28H25N3O2/c1-33-23-15-13-22(14-16-23)31-27(32)25-11-4-5-12-26(25)29-28(31)18-30(19-28)17-21-9-6-8-20-7-2-3-10-24(20)21/h2-16,29H,17-19H2,1H3
InChIKeyZUGAZVRIIQZJPG-UHFFFAOYSA-N
XLogP5.13
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-methoxyphenyl)-1'-(naphthalen-1-ylmethyl)spiro[1H-quinazoline-2,3'-azetidine]-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'-(furan-3-carbonyl)-3-(4-methoxyphenyl)spiro[1H-quinazoline-2,4'-piperidine]-4-one
CID 112844314
(1'R,2S,5'S)-3-(4-methoxyphenyl)spiro[1H-quinazoline-2,7'-bicyclo[3.2.0]hept-2-ene]-4-one
CID 2094087
3-(4-hydroxyphenyl)-1'-[[2-(trifluoromethoxy)phenyl]methyl]spiro[1H-quinazoline-2,4'-piperidine]-4-one
CID 162615029
5-fluoro-3'-(4-methoxyphenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 139218295
5,5-bis(4-methoxyphenyl)-3-(naphthalen-1-ylmethyl)imidazolidine-2,4-dione
CID 2090016
6-[2-(4-methoxyphenyl)ethyl]-1'-(naphthalen-1-ylmethyl)spiro[6,8,9,10-tetrahydrobenzo[8]annulene-7,3'-azetidine]-5-one
CID 123915157
3'-(4-methoxyphenyl)-5,7-dimethylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 47006441
(2R)-3-(4-ethoxyphenyl)-2-ethyl-2-methyl-1H-quinazolin-4-one
CID 703738
[4-[2-(4-methoxyphenyl)-3,3'-dioxo-1,1'-spirobi[isoindole]-2'-yl]phenyl] acetate
CID 89397450
[1-(4-methoxyphenyl)-5-methyltriazol-4-yl]-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 112820953
5-(3-methoxyphenyl)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione
CID 45352806
(5R)-5-(3-methoxyphenyl)-5-methyl-3-(naphthalen-1-ylmethyl)imidazolidine-2,4-dione
CID 40620869

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1'-(naphthalen-1-ylmethyl)spiro[1H-quinazoline-2,3'-azetidine]-4-one?
The IUPAC name of 3-(4-methoxyphenyl)-1'-(naphthalen-1-ylmethyl)spiro[1H-quinazoline-2,3'-azetidine]-4-one (CID 90317156) is 3-(4-methoxyphenyl)-1'-(naphthalen-1-ylmethyl)spiro[1H-quinazoline-2,3'-azetidine]-4-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-1'-(naphthalen-1-ylmethyl)spiro[1H-quinazoline-2,3'-azetidine]-4-one?
The canonical SMILES for 3-(4-methoxyphenyl)-1'-(naphthalen-1-ylmethyl)spiro[1H-quinazoline-2,3'-azetidine]-4-one is COc1ccc(N2C(=O)c3ccccc3NC23CN(Cc2cccc4ccccc24)C3)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1'-(naphthalen-1-ylmethyl)spiro[1H-quinazoline-2,3'-azetidine]-4-one?
The InChIKey is ZUGAZVRIIQZJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O2/c1-33-23-15-13-22(14-16-23)31-27(32)25-11-4-5-12-26(25)29-28(31)18-30(19-28)17-21-9-6-8-20-7-2-3-10-24(20)21/h2-16,29H,17-19H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-1'-(naphthalen-1-ylmethyl)spiro[1H-quinazoline-2,3'-azetidine]-4-one?
3-(4-methoxyphenyl)-1'-(naphthalen-1-ylmethyl)spiro[1H-quinazoline-2,3'-azetidine]-4-one has a molecular weight of 435.53 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1'-(naphthalen-1-ylmethyl)spiro[1H-quinazoline-2,3'-azetidine]-4-one is sourced from PubChem (CID 90317156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).