3-methyl-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylquinazolin-4-one

C23H17N3O2S2 — CID 2624307

IUPAC3-methyl-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylquinazolin-4-one
SMILESCn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nc2ccccc2c1=O
InChIInChI=1S/C23H17N3O2S2/c1-25-22(28)15-8-2-3-9-16(15)24-23(25)29-14-21(27)26-17-10-4-6-12-19(17)30-20-13-7-5-11-18(20)26/h2-13H,14H2,1H3
InChIKeyLAEGJHSFIIYTLC-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.86
Rot. Bonds3

About 3-methyl-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylquinazolin-4-one

3-methyl-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylquinazolin-4-one (PubChem CID 2624307) has the molecular formula C23H17N3O2S2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 3-methyl-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylquinazolin-4-one.

Molecular Properties

Compound Name3-methyl-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylquinazolin-4-one
PubChem CID2624307
Molecular FormulaC23H17N3O2S2
Molecular Weight431.54 g/mol
Exact Mass431.08
IUPAC Name3-methyl-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylquinazolin-4-one
SMILESCn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nc2ccccc2c1=O
InChIInChI=1S/C23H17N3O2S2/c1-25-22(28)15-8-2-3-9-16(15)24-23(25)29-14-21(27)26-17-10-4-6-12-19(17)30-20-13-7-5-11-18(20)26/h2-13H,14H2,1H3
InChIKeyLAEGJHSFIIYTLC-UHFFFAOYSA-N
XLogP4.86
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-methoxypropyl)-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylquinazolin-4-one
CID 5199801
2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one
CID 2624336
3-methyl-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 5040755
3-methyl-2-(2-methylprop-2-enylsulfanyl)quinazolin-4-one
CID 2980541
N-ethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 3895819
2-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one
CID 27241325
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide
CID 3505299
2-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]sulfanyl-3-methylthieno[2,3-d]pyrimidin-4-one
CID 33075550
3-methyl-2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylquinazolin-4-one
CID 7421358
N-(3-methylbutan-2-yl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 51140960
N'-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide
CID 5199833
2-[(3-methyl-4-oxoquinazolin-2-yl)sulfanylmethyl]isoindole-1,3-dione
CID 3289330

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylquinazolin-4-one?
The IUPAC name of 3-methyl-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylquinazolin-4-one (CID 2624307) is 3-methyl-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylquinazolin-4-one.
What is the SMILES notation for 3-methyl-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylquinazolin-4-one?
The canonical SMILES for 3-methyl-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylquinazolin-4-one is Cn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nc2ccccc2c1=O.
What is the InChIKey of 3-methyl-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylquinazolin-4-one?
The InChIKey is LAEGJHSFIIYTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O2S2/c1-25-22(28)15-8-2-3-9-16(15)24-23(25)29-14-21(27)26-17-10-4-6-12-19(17)30-20-13-7-5-11-18(20)26/h2-13H,14H2,1H3.
What are the key properties of 3-methyl-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylquinazolin-4-one?
3-methyl-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylquinazolin-4-one has a molecular weight of 431.54 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylquinazolin-4-one is sourced from PubChem (CID 2624307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).