N-[2-(4-chlorophenyl)ethyl]-2-(2-oxo-5-sulfanylidene-1,3-dihydroimidazo[1,2-c]quinazolin-3-yl)acetamide

C20H17ClN4O2S — CID 163339493

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(2-oxo-5-sulfanylidene-1,3-dihydroimidazo[1,2-c]quinazolin-3-yl)acetamide
SMILESO=C(CC1C(=O)Nc2c3ccccc3nc(=S)n21)NCCc1ccc(Cl)cc1
InChIInChI=1S/C20H17ClN4O2S/c21-13-7-5-12(6-8-13)9-10-22-17(26)11-16-19(27)24-18-14-3-1-2-4-15(14)23-20(28)25(16)18/h1-8,16H,9-11H2,(H,22,26)(H,24,27)
InChIKeyCNOVGEFZVXAULH-UHFFFAOYSA-N
MW412.90 g/mol
LogP3.66
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-2-(2-oxo-5-sulfanylidene-1,3-dihydroimidazo[1,2-c]quinazolin-3-yl)acetamide

N-[2-(4-chlorophenyl)ethyl]-2-(2-oxo-5-sulfanylidene-1,3-dihydroimidazo[1,2-c]quinazolin-3-yl)acetamide (PubChem CID 163339493) has the molecular formula C20H17ClN4O2S and a molecular weight of 412.90 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(2-oxo-5-sulfanylidene-1,3-dihydroimidazo[1,2-c]quinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(2-oxo-5-sulfanylidene-1,3-dihydroimidazo[1,2-c]quinazolin-3-yl)acetamide
PubChem CID163339493
Molecular FormulaC20H17ClN4O2S
Molecular Weight412.90 g/mol
Exact Mass412.08
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(2-oxo-5-sulfanylidene-1,3-dihydroimidazo[1,2-c]quinazolin-3-yl)acetamide
SMILESO=C(CC1C(=O)Nc2c3ccccc3nc(=S)n21)NCCc1ccc(Cl)cc1
InChIInChI=1S/C20H17ClN4O2S/c21-13-7-5-12(6-8-13)9-10-22-17(26)11-16-19(27)24-18-14-3-1-2-4-15(14)23-20(28)25(16)18/h1-8,16H,9-11H2,(H,22,26)(H,24,27)
InChIKeyCNOVGEFZVXAULH-UHFFFAOYSA-N
XLogP3.66
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.90
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(2-oxo-5-sulfanylidene-1,3-dihydroimidazo[1,2-c]quinazolin-3-yl)acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(2-oxo-5-sulfanylidene-1,3-dihydroimidazo[1,2-c]quinazolin-3-yl)acetamide (CID 163339493) is N-[2-(4-chlorophenyl)ethyl]-2-(2-oxo-5-sulfanylidene-1,3-dihydroimidazo[1,2-c]quinazolin-3-yl)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(2-oxo-5-sulfanylidene-1,3-dihydroimidazo[1,2-c]quinazolin-3-yl)acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(2-oxo-5-sulfanylidene-1,3-dihydroimidazo[1,2-c]quinazolin-3-yl)acetamide is O=C(CC1C(=O)Nc2c3ccccc3nc(=S)n21)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(2-oxo-5-sulfanylidene-1,3-dihydroimidazo[1,2-c]quinazolin-3-yl)acetamide?
The InChIKey is CNOVGEFZVXAULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2S/c21-13-7-5-12(6-8-13)9-10-22-17(26)11-16-19(27)24-18-14-3-1-2-4-15(14)23-20(28)25(16)18/h1-8,16H,9-11H2,(H,22,26)(H,24,27).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(2-oxo-5-sulfanylidene-1,3-dihydroimidazo[1,2-c]quinazolin-3-yl)acetamide?
N-[2-(4-chlorophenyl)ethyl]-2-(2-oxo-5-sulfanylidene-1,3-dihydroimidazo[1,2-c]quinazolin-3-yl)acetamide has a molecular weight of 412.90 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-(2-oxo-5-sulfanylidene-1,3-dihydroimidazo[1,2-c]quinazolin-3-yl)acetamide is sourced from PubChem (CID 163339493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).