2-[(3-benzyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]propanamide

C28H25ClN4O2S — CID 163337555

IUPAC2-[(3-benzyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]propanamide
SMILESCC(SC1=Nc2ccccc2C2=NC(=O)C(Cc3ccccc3)N12)C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C28H25ClN4O2S/c1-18(26(34)30-16-15-19-11-13-21(29)14-12-19)36-28-31-23-10-6-5-9-22(23)25-32-27(35)24(33(25)28)17-20-7-3-2-4-8-20/h2-14,18,24H,15-17H2,1H3,(H,30,34)
InChIKeyUCWACCAIFUCSEB-UHFFFAOYSA-N
MW517.05 g/mol
LogP5.02
Rot. Bonds7

About 2-[(3-benzyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]propanamide

2-[(3-benzyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]propanamide (PubChem CID 163337555) has the molecular formula C28H25ClN4O2S and a molecular weight of 517.05 g/mol. Its IUPAC name is 2-[(3-benzyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-[(3-benzyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]propanamide
PubChem CID163337555
Molecular FormulaC28H25ClN4O2S
Molecular Weight517.05 g/mol
Exact Mass516.14
IUPAC Name2-[(3-benzyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]propanamide
SMILESCC(SC1=Nc2ccccc2C2=NC(=O)C(Cc3ccccc3)N12)C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C28H25ClN4O2S/c1-18(26(34)30-16-15-19-11-13-21(29)14-12-19)36-28-31-23-10-6-5-9-22(23)25-32-27(35)24(33(25)28)17-20-7-3-2-4-8-20/h2-14,18,24H,15-17H2,1H3,(H,30,34)
InChIKeyUCWACCAIFUCSEB-UHFFFAOYSA-N
XLogP5.02
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.05
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-benzyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]propanamide?
The IUPAC name of 2-[(3-benzyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]propanamide (CID 163337555) is 2-[(3-benzyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]propanamide.
What is the SMILES notation for 2-[(3-benzyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]propanamide?
The canonical SMILES for 2-[(3-benzyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]propanamide is CC(SC1=Nc2ccccc2C2=NC(=O)C(Cc3ccccc3)N12)C(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of 2-[(3-benzyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]propanamide?
The InChIKey is UCWACCAIFUCSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClN4O2S/c1-18(26(34)30-16-15-19-11-13-21(29)14-12-19)36-28-31-23-10-6-5-9-22(23)25-32-27(35)24(33(25)28)17-20-7-3-2-4-8-20/h2-14,18,24H,15-17H2,1H3,(H,30,34).
What are the key properties of 2-[(3-benzyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]propanamide?
2-[(3-benzyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]propanamide has a molecular weight of 517.05 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-benzyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]propanamide is sourced from PubChem (CID 163337555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).