2-(2-ethylanilino)-N-[(4-methoxyphenyl)methyl]-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide

C26H23N5O3S — CID 20917978

IUPAC2-(2-ethylanilino)-N-[(4-methoxyphenyl)methyl]-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
SMILESCCc1ccccc1Nc1nn2c(=O)c3ccc(C(=O)NCc4ccc(OC)cc4)cc3nc2s1
InChIInChI=1S/C26H23N5O3S/c1-3-17-6-4-5-7-21(17)28-25-30-31-24(33)20-13-10-18(14-22(20)29-26(31)35-25)23(32)27-15-16-8-11-19(34-2)12-9-16/h4-14H,3,15H2,1-2H3,(H,27,32)(H,28,30)
InChIKeyJWYGJRWPQSKZIW-UHFFFAOYSA-N
MW485.57 g/mol
LogP4.55
Rot. Bonds7

About 2-(2-ethylanilino)-N-[(4-methoxyphenyl)methyl]-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide

2-(2-ethylanilino)-N-[(4-methoxyphenyl)methyl]-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide (PubChem CID 20917978) has the molecular formula C26H23N5O3S and a molecular weight of 485.57 g/mol. Its IUPAC name is 2-(2-ethylanilino)-N-[(4-methoxyphenyl)methyl]-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide.

Molecular Properties

Compound Name2-(2-ethylanilino)-N-[(4-methoxyphenyl)methyl]-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
PubChem CID20917978
Molecular FormulaC26H23N5O3S
Molecular Weight485.57 g/mol
Exact Mass485.15
IUPAC Name2-(2-ethylanilino)-N-[(4-methoxyphenyl)methyl]-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
SMILESCCc1ccccc1Nc1nn2c(=O)c3ccc(C(=O)NCc4ccc(OC)cc4)cc3nc2s1
InChIInChI=1S/C26H23N5O3S/c1-3-17-6-4-5-7-21(17)28-25-30-31-24(33)20-13-10-18(14-22(20)29-26(31)35-25)23(32)27-15-16-8-11-19(34-2)12-9-16/h4-14H,3,15H2,1-2H3,(H,27,32)(H,28,30)
InChIKeyJWYGJRWPQSKZIW-UHFFFAOYSA-N
XLogP4.55
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.57
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2-ethylanilino)-5-oxo-N-(pyridin-2-ylmethyl)-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
CID 20917974
N-cyclopropyl-2-(2-ethylanilino)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
CID 20917984
N-(4-ethoxyphenyl)-2-(2-methoxyanilino)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
CID 16831966
methyl 2-(2-methoxyanilino)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate
CID 22589750
2-(benzylamino)-N-(2-methoxyethyl)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
CID 22424252
N-benzyl-N-methyl-2-(2-methylanilino)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
CID 20917966
2-(2-ethylanilino)-7-methyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 30844888
2-(4-methoxyanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 6626180
3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide
CID 39334024
3-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide
CID 39340542
2-(2-ethylanilino)-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 53365490
N-benzyl-3-(2,5-dimethoxyphenyl)-4-oxoquinazoline-7-carboxamide
CID 39313240

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylanilino)-N-[(4-methoxyphenyl)methyl]-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide?
The IUPAC name of 2-(2-ethylanilino)-N-[(4-methoxyphenyl)methyl]-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide (CID 20917978) is 2-(2-ethylanilino)-N-[(4-methoxyphenyl)methyl]-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide.
What is the SMILES notation for 2-(2-ethylanilino)-N-[(4-methoxyphenyl)methyl]-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide?
The canonical SMILES for 2-(2-ethylanilino)-N-[(4-methoxyphenyl)methyl]-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide is CCc1ccccc1Nc1nn2c(=O)c3ccc(C(=O)NCc4ccc(OC)cc4)cc3nc2s1.
What is the InChIKey of 2-(2-ethylanilino)-N-[(4-methoxyphenyl)methyl]-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide?
The InChIKey is JWYGJRWPQSKZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O3S/c1-3-17-6-4-5-7-21(17)28-25-30-31-24(33)20-13-10-18(14-22(20)29-26(31)35-25)23(32)27-15-16-8-11-19(34-2)12-9-16/h4-14H,3,15H2,1-2H3,(H,27,32)(H,28,30).
What are the key properties of 2-(2-ethylanilino)-N-[(4-methoxyphenyl)methyl]-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide?
2-(2-ethylanilino)-N-[(4-methoxyphenyl)methyl]-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide has a molecular weight of 485.57 g/mol, XLogP of 4.55, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylanilino)-N-[(4-methoxyphenyl)methyl]-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide is sourced from PubChem (CID 20917978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).