N-(4-ethoxyphenyl)-2-[(3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide

C20H18N4O3S — CID 4671446

IUPACN-(4-ethoxyphenyl)-2-[(3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
SMILESCCOc1ccc(NC(=O)CSC2=Nc3ccccc3C3=NCC(=O)N23)cc1
InChIInChI=1S/C20H18N4O3S/c1-2-27-14-9-7-13(8-10-14)22-17(25)12-28-20-23-16-6-4-3-5-15(16)19-21-11-18(26)24(19)20/h3-10H,2,11-12H2,1H3,(H,22,25)
InChIKeyDHCKZFYUCJMORS-UHFFFAOYSA-N
MW394.46 g/mol
LogP3.05
Rot. Bonds5

About N-(4-ethoxyphenyl)-2-[(3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide

N-(4-ethoxyphenyl)-2-[(3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide (PubChem CID 4671446) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[(3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[(3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
PubChem CID4671446
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC NameN-(4-ethoxyphenyl)-2-[(3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
SMILESCCOc1ccc(NC(=O)CSC2=Nc3ccccc3C3=NCC(=O)N23)cc1
InChIInChI=1S/C20H18N4O3S/c1-2-27-14-9-7-13(8-10-14)22-17(25)12-28-20-23-16-6-4-3-5-15(16)19-21-11-18(26)24(19)20/h3-10H,2,11-12H2,1H3,(H,22,25)
InChIKeyDHCKZFYUCJMORS-UHFFFAOYSA-N
XLogP3.05
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-butyl-2-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide
CID 46369665
N-(4-ethoxyphenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 163337554
N-(4-ethoxyphenyl)-2-[[3-(2-methylpropyl)-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
CID 163335899
N-butyl-3-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide
CID 22589528
N-butyl-3-[(2R)-5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide
CID 92694455
N-(4-ethoxyphenyl)-2-[[3-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
CID 46251217
N-cyclohexyl-2-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide
CID 163337342
3-[(2R)-5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 98354439
N-(1,3-benzodioxol-5-ylmethyl)-2-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide
CID 156610904
N-cyclohexyl-2-[5-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide
CID 5086813
N-(4-methoxyphenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 163335981
2-[(3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 46349446

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[(3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[(3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide (CID 4671446) is N-(4-ethoxyphenyl)-2-[(3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[(3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[(3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide is CCOc1ccc(NC(=O)CSC2=Nc3ccccc3C3=NCC(=O)N23)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[(3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide?
The InChIKey is DHCKZFYUCJMORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c1-2-27-14-9-7-13(8-10-14)22-17(25)12-28-20-23-16-6-4-3-5-15(16)19-21-11-18(26)24(19)20/h3-10H,2,11-12H2,1H3,(H,22,25).
What are the key properties of N-(4-ethoxyphenyl)-2-[(3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide?
N-(4-ethoxyphenyl)-2-[(3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide has a molecular weight of 394.46 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[(3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide is sourced from PubChem (CID 4671446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).