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

C19H16N4O2S — CID 3568636

IUPACN-benzyl-2-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)acetamide
SMILESO=C(CC1Nc2c3ccccc3nc(=S)n2C1=O)NCc1ccccc1
InChIInChI=1S/C19H16N4O2S/c24-16(20-11-12-6-2-1-3-7-12)10-15-18(25)23-17(21-15)13-8-4-5-9-14(13)22-19(23)26/h1-9,15,21H,10-11H2,(H,20,24)
InChIKeyMAHCJTOOJNEXBL-UHFFFAOYSA-N
MW364.43 g/mol
LogP2.91
Rot. Bonds4

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

N-benzyl-2-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)acetamide (PubChem CID 3568636) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-benzyl-2-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)acetamide
PubChem CID3568636
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC NameN-benzyl-2-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)acetamide
SMILESO=C(CC1Nc2c3ccccc3nc(=S)n2C1=O)NCc1ccccc1
InChIInChI=1S/C19H16N4O2S/c24-16(20-11-12-6-2-1-3-7-12)10-15-18(25)23-17(21-15)13-8-4-5-9-14(13)22-19(23)26/h1-9,15,21H,10-11H2,(H,20,24)
InChIKeyMAHCJTOOJNEXBL-UHFFFAOYSA-N
XLogP2.91
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-benzyl-2-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)acetamide?
The IUPAC name of N-benzyl-2-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)acetamide (CID 3568636) is N-benzyl-2-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)acetamide?
The canonical SMILES for N-benzyl-2-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)acetamide is O=C(CC1Nc2c3ccccc3nc(=S)n2C1=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)acetamide?
The InChIKey is MAHCJTOOJNEXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c24-16(20-11-12-6-2-1-3-7-12)10-15-18(25)23-17(21-15)13-8-4-5-9-14(13)22-19(23)26/h1-9,15,21H,10-11H2,(H,20,24).
What are the key properties of N-benzyl-2-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)acetamide?
N-benzyl-2-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)acetamide has a molecular weight of 364.43 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)acetamide is sourced from PubChem (CID 3568636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).