N-(4-ethoxyphenyl)-2-(2-methoxyanilino)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide

C25H21N5O4S — CID 16831966

IUPACN-(4-ethoxyphenyl)-2-(2-methoxyanilino)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc3c(=O)n4nc(Nc5ccccc5OC)sc4nc3c2)cc1
InChIInChI=1S/C25H21N5O4S/c1-3-34-17-11-9-16(10-12-17)26-22(31)15-8-13-18-20(14-15)28-25-30(23(18)32)29-24(35-25)27-19-6-4-5-7-21(19)33-2/h4-14H,3H2,1-2H3,(H,26,31)(H,27,29)
InChIKeyPYBAKCJYUZXSRR-UHFFFAOYSA-N
MW487.54 g/mol
LogP4.71
Rot. Bonds7

About N-(4-ethoxyphenyl)-2-(2-methoxyanilino)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide

N-(4-ethoxyphenyl)-2-(2-methoxyanilino)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide (PubChem CID 16831966) has the molecular formula C25H21N5O4S and a molecular weight of 487.54 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(2-methoxyanilino)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(2-methoxyanilino)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
PubChem CID16831966
Molecular FormulaC25H21N5O4S
Molecular Weight487.54 g/mol
Exact Mass487.13
IUPAC NameN-(4-ethoxyphenyl)-2-(2-methoxyanilino)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc3c(=O)n4nc(Nc5ccccc5OC)sc4nc3c2)cc1
InChIInChI=1S/C25H21N5O4S/c1-3-34-17-11-9-16(10-12-17)26-22(31)15-8-13-18-20(14-15)28-25-30(23(18)32)29-24(35-25)27-19-6-4-5-7-21(19)33-2/h4-14H,3H2,1-2H3,(H,26,31)(H,27,29)
InChIKeyPYBAKCJYUZXSRR-UHFFFAOYSA-N
XLogP4.71
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.54
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-(4-ethoxyphenyl)-2-(2-methoxyanilino)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide 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

2-(2-ethylanilino)-N-[(4-methoxyphenyl)methyl]-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
CID 20917978
2-(5-chloro-2-methylanilino)-N-(3-methoxyphenyl)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
CID 46278386
4-N-(4-ethoxyphenyl)-2-N-(2-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109093012
2-(4-methoxyanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 6626180
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 3554862
N-(2-ethoxyphenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2222263
N-(4-ethoxyphenyl)naphthalene-2-carboxamide
CID 2600548
N-(2-methoxyphenyl)-3-(3-methoxyphenyl)-4-oxoquinazoline-7-carboxamide
CID 39341853
4-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 46586199
N-(2-methoxyphenyl)-4-[(4-propoxybenzoyl)amino]benzamide
CID 4879742
N-(2,5-dimethoxyphenyl)-3-(2-methoxyphenyl)-4-oxoquinazoline-7-carboxamide
CID 39331968
3-[(4-ethoxybenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 1228510

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(2-methoxyanilino)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(2-methoxyanilino)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide (CID 16831966) is N-(4-ethoxyphenyl)-2-(2-methoxyanilino)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(2-methoxyanilino)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(2-methoxyanilino)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide is CCOc1ccc(NC(=O)c2ccc3c(=O)n4nc(Nc5ccccc5OC)sc4nc3c2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(2-methoxyanilino)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide?
The InChIKey is PYBAKCJYUZXSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O4S/c1-3-34-17-11-9-16(10-12-17)26-22(31)15-8-13-18-20(14-15)28-25-30(23(18)32)29-24(35-25)27-19-6-4-5-7-21(19)33-2/h4-14H,3H2,1-2H3,(H,26,31)(H,27,29).
What are the key properties of N-(4-ethoxyphenyl)-2-(2-methoxyanilino)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide?
N-(4-ethoxyphenyl)-2-(2-methoxyanilino)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide has a molecular weight of 487.54 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-(2-methoxyanilino)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide is sourced from PubChem (CID 16831966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).