2-(5-chloro-2-methoxyanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one

C16H11ClN4O2S — CID 22588357

IUPAC2-(5-chloro-2-methoxyanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
SMILESCOc1ccc(Cl)cc1Nc1nn2c(=O)c3ccccc3nc2s1
InChIInChI=1S/C16H11ClN4O2S/c1-23-13-7-6-9(17)8-12(13)18-15-20-21-14(22)10-4-2-3-5-11(10)19-16(21)24-15/h2-8H,1H3,(H,18,20)
InChIKeyVBFQYNQYUKETIN-UHFFFAOYSA-N
MW358.81 g/mol
LogP3.71
Rot. Bonds3

About 2-(5-chloro-2-methoxyanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one

2-(5-chloro-2-methoxyanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one (PubChem CID 22588357) has the molecular formula C16H11ClN4O2S and a molecular weight of 358.81 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
PubChem CID22588357
Molecular FormulaC16H11ClN4O2S
Molecular Weight358.81 g/mol
Exact Mass358.03
IUPAC Name2-(5-chloro-2-methoxyanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
SMILESCOc1ccc(Cl)cc1Nc1nn2c(=O)c3ccccc3nc2s1
InChIInChI=1S/C16H11ClN4O2S/c1-23-13-7-6-9(17)8-12(13)18-15-20-21-14(22)10-4-2-3-5-11(10)19-16(21)24-15/h2-8H,1H3,(H,18,20)
InChIKeyVBFQYNQYUKETIN-UHFFFAOYSA-N
XLogP3.71
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.81
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2,5-dimethoxyanilino)-7,8-dimethoxy-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 27441081
2-(4-methoxyanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 6626180
methyl 2-(2-methoxyanilino)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate
CID 22589750
8-chloro-2-(3,5-dimethylanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 53209788
2-(5-chloro-2-methylanilino)-N-(3-methoxyphenyl)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
CID 46278386
2-(2-methoxyphenyl)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 17285086
N-(5-chloro-2-methoxyphenyl)-4-methylquinolin-2-amine;hydrochloride
CID 56728823
N-(4-ethoxyphenyl)-2-(2-methoxyanilino)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
CID 16831966
2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-chloro-2-methoxyphenyl)acetamide
CID 2478471
2-[(1S)-1-(2-chlorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 51570410
2-(2-ethylanilino)-N-[(4-methoxyphenyl)methyl]-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
CID 20917978
N-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 4060631

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
The IUPAC name of 2-(5-chloro-2-methoxyanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one (CID 22588357) is 2-(5-chloro-2-methoxyanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one.
What is the SMILES notation for 2-(5-chloro-2-methoxyanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
The canonical SMILES for 2-(5-chloro-2-methoxyanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one is COc1ccc(Cl)cc1Nc1nn2c(=O)c3ccccc3nc2s1.
What is the InChIKey of 2-(5-chloro-2-methoxyanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
The InChIKey is VBFQYNQYUKETIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O2S/c1-23-13-7-6-9(17)8-12(13)18-15-20-21-14(22)10-4-2-3-5-11(10)19-16(21)24-15/h2-8H,1H3,(H,18,20).
What are the key properties of 2-(5-chloro-2-methoxyanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
2-(5-chloro-2-methoxyanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one has a molecular weight of 358.81 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one is sourced from PubChem (CID 22588357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).