ethyl 2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetate

C21H19N3O3S — CID 45488978

IUPACethyl 2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetate
SMILESCCOC(=O)CSC1=Nc2ccccc2C2=NC(Cc3ccccc3)C(=O)N12
InChIInChI=1S/C21H19N3O3S/c1-2-27-18(25)13-28-21-23-16-11-7-6-10-15(16)19-22-17(20(26)24(19)21)12-14-8-4-3-5-9-14/h3-11,17H,2,12-13H2,1H3
InChIKeyZDGKPANAJBOQQS-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.18
Rot. Bonds5

About ethyl 2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetate

ethyl 2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetate (PubChem CID 45488978) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is ethyl 2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetate
PubChem CID45488978
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC Nameethyl 2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetate
SMILESCCOC(=O)CSC1=Nc2ccccc2C2=NC(Cc3ccccc3)C(=O)N12
InChIInChI=1S/C21H19N3O3S/c1-2-27-18(25)13-28-21-23-16-11-7-6-10-15(16)19-22-17(20(26)24(19)21)12-14-8-4-3-5-9-14/h3-11,17H,2,12-13H2,1H3
InChIKeyZDGKPANAJBOQQS-UHFFFAOYSA-N
XLogP3.18
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetate 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-methyl-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-5-yl}sulfanyl)-N-(2-phenylethyl)acetamide
CID 16028657
2-{[2-(butan-2-yl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}-N-(2-methylphenyl)butanamide
CID 20965633
2-sec-butyl-5-{[1-(2,3-dihydro-1H-indol-1-ylcarbonyl)propyl]thio}imidazo[1,2-c]quinazolin-3(2H)-one
CID 50798499
2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-phenylbutanamide
CID 50798532
2-{[2-(2-methylpropyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}-N-phenylbutanamide
CID 50798587
2-[5-[[2-(3-methoxypropylamino)-2-oxoethyl]thio]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(phenylmethyl)acetamide
CID 3235767
[(2-Isopropyl-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)thio]acetonitrile
CID 3244416
N-cyclohexyl-N-methyl-2-({3-oxo-2-phenyl-2H,3H-imidazo[1,2-c]quinazolin-5-yl}sulfanyl)acetamide
CID 4685148
N-cyclohexyl-2-({3-oxo-2-phenyl-2H,3H-imidazo[1,2-c]quinazolin-5-yl}sulfanyl)acetamide
CID 9550359
N,N-diethyl-2-({3-oxo-2-phenyl-2H,3H-imidazo[1,2-c]quinazolin-5-yl}sulfanyl)acetamide
CID 9551148
2-((2-benzyl-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)thio)-N-(2-ethylphenyl)acetamide
CID 16028623
5-[1-(2,3,3a,7a-tetrahydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-3-one
CID 168287147

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetate?
The IUPAC name of ethyl 2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetate (CID 45488978) is ethyl 2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetate.
What is the SMILES notation for ethyl 2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetate?
The canonical SMILES for ethyl 2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetate is CCOC(=O)CSC1=Nc2ccccc2C2=NC(Cc3ccccc3)C(=O)N12.
What is the InChIKey of ethyl 2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetate?
The InChIKey is ZDGKPANAJBOQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-2-27-18(25)13-28-21-23-16-11-7-6-10-15(16)19-22-17(20(26)24(19)21)12-14-8-4-3-5-9-14/h3-11,17H,2,12-13H2,1H3.
What are the key properties of ethyl 2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetate?
ethyl 2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetate has a molecular weight of 393.47 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetate is sourced from PubChem (CID 45488978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).