3-(2-chlorophenyl)-1-methylspiro[quinazoline-2,4'-thiane]-4-one

C19H19ClN2OS — CID 60526086

IUPAC3-(2-chlorophenyl)-1-methylspiro[quinazoline-2,4'-thiane]-4-one
SMILESCN1c2ccccc2C(=O)N(c2ccccc2Cl)C12CCSCC2
InChIInChI=1S/C19H19ClN2OS/c1-21-16-8-4-2-6-14(16)18(23)22(17-9-5-3-7-15(17)20)19(21)10-12-24-13-11-19/h2-9H,10-13H2,1H3
InChIKeyZFYYBSAFZDLJRU-UHFFFAOYSA-N
MW358.89 g/mol
LogP4.66
Rot. Bonds1

About 3-(2-chlorophenyl)-1-methylspiro[quinazoline-2,4'-thiane]-4-one

3-(2-chlorophenyl)-1-methylspiro[quinazoline-2,4'-thiane]-4-one (PubChem CID 60526086) has the molecular formula C19H19ClN2OS and a molecular weight of 358.89 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-methylspiro[quinazoline-2,4'-thiane]-4-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-methylspiro[quinazoline-2,4'-thiane]-4-one
PubChem CID60526086
Molecular FormulaC19H19ClN2OS
Molecular Weight358.89 g/mol
Exact Mass358.09
IUPAC Name3-(2-chlorophenyl)-1-methylspiro[quinazoline-2,4'-thiane]-4-one
SMILESCN1c2ccccc2C(=O)N(c2ccccc2Cl)C12CCSCC2
InChIInChI=1S/C19H19ClN2OS/c1-21-16-8-4-2-6-14(16)18(23)22(17-9-5-3-7-15(17)20)19(21)10-12-24-13-11-19/h2-9H,10-13H2,1H3
InChIKeyZFYYBSAFZDLJRU-UHFFFAOYSA-N
XLogP4.66
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methylspiro[3H-quinazoline-2,4'-thiane]-4-one
CID 25344226
1-(2-chlorophenyl)-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79504898
1-benzyl-1',3'-dimethylspiro[piperidine-4,2'-quinazoline]-4'-one;hydrochloride
CID 12667858
2-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]isoindole-1,3-dione;hydrochloride
CID 3088491
2-(2-chlorophenyl)-1,3-dimethyl-2H-quinazolin-4-one
CID 3121405
3-(2-chlorophenyl)-5,5-dimethyl-1,3-oxazinane-2,4-dione
CID 56693031
2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]isoindole-1,3-dione;hydrobromide
CID 24839637
3-(4-chlorophenyl)-1-methyl-2H-quinazolin-4-one
CID 117059966
4-(2-chloroanilino)thiane-4-carboxylic acid
CID 61319012
2-(2,3-dichlorophenyl)-3H-isoindol-1-one
CID 842632
6a-(2-chlorophenyl)-6H-isoindolo[2,1-a]quinazoline-5,11-dione
CID 134124391
5-(4-fluorophenyl)-4a-methyl-1,2,3,4-tetrahydropyrido[1,2-a]quinazolin-6-one
CID 139222368

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-methylspiro[quinazoline-2,4'-thiane]-4-one?
The IUPAC name of 3-(2-chlorophenyl)-1-methylspiro[quinazoline-2,4'-thiane]-4-one (CID 60526086) is 3-(2-chlorophenyl)-1-methylspiro[quinazoline-2,4'-thiane]-4-one.
What is the SMILES notation for 3-(2-chlorophenyl)-1-methylspiro[quinazoline-2,4'-thiane]-4-one?
The canonical SMILES for 3-(2-chlorophenyl)-1-methylspiro[quinazoline-2,4'-thiane]-4-one is CN1c2ccccc2C(=O)N(c2ccccc2Cl)C12CCSCC2.
What is the InChIKey of 3-(2-chlorophenyl)-1-methylspiro[quinazoline-2,4'-thiane]-4-one?
The InChIKey is ZFYYBSAFZDLJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2OS/c1-21-16-8-4-2-6-14(16)18(23)22(17-9-5-3-7-15(17)20)19(21)10-12-24-13-11-19/h2-9H,10-13H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-1-methylspiro[quinazoline-2,4'-thiane]-4-one?
3-(2-chlorophenyl)-1-methylspiro[quinazoline-2,4'-thiane]-4-one has a molecular weight of 358.89 g/mol, XLogP of 4.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-methylspiro[quinazoline-2,4'-thiane]-4-one is sourced from PubChem (CID 60526086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).