2-(3,5-dimethoxyphenyl)-[1,3]benzothiazolo[2,3-b]quinazolin-12-one

C22H16N2O3S — CID 163394930

IUPAC2-(3,5-dimethoxyphenyl)-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
SMILESCOc1cc(OC)cc(-c2ccc3nc4sc5ccccc5n4c(=O)c3c2)c1
InChIInChI=1S/C22H16N2O3S/c1-26-15-9-14(10-16(12-15)27-2)13-7-8-18-17(11-13)21(25)24-19-5-3-4-6-20(19)28-22(24)23-18/h3-12H,1-2H3
InChIKeyGVVRANODWGQTTB-UHFFFAOYSA-N
MW388.45 g/mol
LogP4.75
Rot. Bonds3

About 2-(3,5-dimethoxyphenyl)-[1,3]benzothiazolo[2,3-b]quinazolin-12-one

2-(3,5-dimethoxyphenyl)-[1,3]benzothiazolo[2,3-b]quinazolin-12-one (PubChem CID 163394930) has the molecular formula C22H16N2O3S and a molecular weight of 388.45 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenyl)-[1,3]benzothiazolo[2,3-b]quinazolin-12-one.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenyl)-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
PubChem CID163394930
Molecular FormulaC22H16N2O3S
Molecular Weight388.45 g/mol
Exact Mass388.09
IUPAC Name2-(3,5-dimethoxyphenyl)-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
SMILESCOc1cc(OC)cc(-c2ccc3nc4sc5ccccc5n4c(=O)c3c2)c1
InChIInChI=1S/C22H16N2O3S/c1-26-15-9-14(10-16(12-15)27-2)13-7-8-18-17(11-13)21(25)24-19-5-3-4-6-20(19)28-22(24)23-18/h3-12H,1-2H3
InChIKeyGVVRANODWGQTTB-UHFFFAOYSA-N
XLogP4.75
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methylphenyl)-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
CID 163394893
2-chloro-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
CID 15134484
2-(3-phenyl-N-(3-phenylphenyl)anilino)-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
CID 163394880
2-(3-phenyl-N-triphenylen-2-ylanilino)-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
CID 163395008
8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
CID 163394931
bis[3-(benzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane
CID 153462934
3-dibenzofuran-2-ylbenzimidazolo[2,1-b][1,3]benzothiazin-12-one
CID 162723051
3-phenyl-16-thia-3,14,24-triazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,17,19,21-decaen-23-one
CID 156870576
2-hydroxy-3-phenylpyrimido[2,1-b][1,3]benzothiazol-4-one
CID 135418971
17-thia-2,7,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11,13,15-heptaen-9-one
CID 10060817
10,16-dithia-2,12-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),4,6,8,11,14,17,19,21,23-decaen-3-one
CID 156870697
1-carbazol-9-yl-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
CID 170777378

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenyl)-[1,3]benzothiazolo[2,3-b]quinazolin-12-one?
The IUPAC name of 2-(3,5-dimethoxyphenyl)-[1,3]benzothiazolo[2,3-b]quinazolin-12-one (CID 163394930) is 2-(3,5-dimethoxyphenyl)-[1,3]benzothiazolo[2,3-b]quinazolin-12-one.
What is the SMILES notation for 2-(3,5-dimethoxyphenyl)-[1,3]benzothiazolo[2,3-b]quinazolin-12-one?
The canonical SMILES for 2-(3,5-dimethoxyphenyl)-[1,3]benzothiazolo[2,3-b]quinazolin-12-one is COc1cc(OC)cc(-c2ccc3nc4sc5ccccc5n4c(=O)c3c2)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenyl)-[1,3]benzothiazolo[2,3-b]quinazolin-12-one?
The InChIKey is GVVRANODWGQTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O3S/c1-26-15-9-14(10-16(12-15)27-2)13-7-8-18-17(11-13)21(25)24-19-5-3-4-6-20(19)28-22(24)23-18/h3-12H,1-2H3.
What are the key properties of 2-(3,5-dimethoxyphenyl)-[1,3]benzothiazolo[2,3-b]quinazolin-12-one?
2-(3,5-dimethoxyphenyl)-[1,3]benzothiazolo[2,3-b]quinazolin-12-one has a molecular weight of 388.45 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenyl)-[1,3]benzothiazolo[2,3-b]quinazolin-12-one is sourced from PubChem (CID 163394930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).