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

C19H15ClN4O2S — CID 3568635

IUPACN-[(3-chlorophenyl)methyl]-2-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)acetamide
SMILESO=C(CC1Nc2c3ccccc3nc(=S)n2C1=O)NCc1cccc(Cl)c1
InChIInChI=1S/C19H15ClN4O2S/c20-12-5-3-4-11(8-12)10-21-16(25)9-15-18(26)24-17(22-15)13-6-1-2-7-14(13)23-19(24)27/h1-8,15,22H,9-10H2,(H,21,25)
InChIKeyZHOIUUAPAWOKOH-UHFFFAOYSA-N
MW398.88 g/mol
LogP3.56
Rot. Bonds4

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

N-[(3-chlorophenyl)methyl]-2-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)acetamide (PubChem CID 3568635) has the molecular formula C19H15ClN4O2S and a molecular weight of 398.88 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)acetamide
PubChem CID3568635
Molecular FormulaC19H15ClN4O2S
Molecular Weight398.88 g/mol
Exact Mass398.06
IUPAC NameN-[(3-chlorophenyl)methyl]-2-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)acetamide
SMILESO=C(CC1Nc2c3ccccc3nc(=S)n2C1=O)NCc1cccc(Cl)c1
InChIInChI=1S/C19H15ClN4O2S/c20-12-5-3-4-11(8-12)10-21-16(25)9-15-18(26)24-17(22-15)13-6-1-2-7-14(13)23-19(24)27/h1-8,15,22H,9-10H2,(H,21,25)
InChIKeyZHOIUUAPAWOKOH-UHFFFAOYSA-N
XLogP3.56
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.88
LogP ≤ 53.56
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-[(3-chlorophenyl)methyl]-2-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)acetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)acetamide (CID 3568635) is N-[(3-chlorophenyl)methyl]-2-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)acetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)acetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)acetamide is O=C(CC1Nc2c3ccccc3nc(=S)n2C1=O)NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)acetamide?
The InChIKey is ZHOIUUAPAWOKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2S/c20-12-5-3-4-11(8-12)10-21-16(25)9-15-18(26)24-17(22-15)13-6-1-2-7-14(13)23-19(24)27/h1-8,15,22H,9-10H2,(H,21,25).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)acetamide?
N-[(3-chlorophenyl)methyl]-2-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)acetamide has a molecular weight of 398.88 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)acetamide is sourced from PubChem (CID 3568635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).