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

C19H15FN4O2S — CID 4068867

IUPACN-[(4-fluorophenyl)methyl]-2-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)acetamide
SMILESO=C(CC1Nc2c3ccccc3nc(=S)n2C1=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H15FN4O2S/c20-12-7-5-11(6-8-12)10-21-16(25)9-15-18(26)24-17(22-15)13-3-1-2-4-14(13)23-19(24)27/h1-8,15,22H,9-10H2,(H,21,25)
InChIKeyLPAAQVDEUPLOGC-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.05
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-2-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)acetamide (PubChem CID 4068867) has the molecular formula C19H15FN4O2S and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)acetamide
PubChem CID4068867
Molecular FormulaC19H15FN4O2S
Molecular Weight382.42 g/mol
Exact Mass382.09
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)acetamide
SMILESO=C(CC1Nc2c3ccccc3nc(=S)n2C1=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H15FN4O2S/c20-12-7-5-11(6-8-12)10-21-16(25)9-15-18(26)24-17(22-15)13-3-1-2-4-14(13)23-19(24)27/h1-8,15,22H,9-10H2,(H,21,25)
InChIKeyLPAAQVDEUPLOGC-UHFFFAOYSA-N
XLogP3.05
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylbenzyl)-2-(3-oxo-5-thioxo-2,3,5,6-tetrahydroimidazo[1,2-c]quinazolin-2-yl)acetamide
CID 3568644
2-(2-(4-(2-fluorophenyl)piperazin-1-yl)-2-oxoethyl)-5-thioxo-5,6-dihydroimidazo[1,2-c]quinazolin-3(2H)-one
CID 4068868
N-[(3-chlorophenyl)methyl]-2-{3-oxo-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-2-yl}acetamide
CID 3568635
N-benzyl-2-{3-oxo-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-2-yl}acetamide
CID 3568636
2-phenyl-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-3-one
CID 4201045
N-[(4-fluorophenyl)methyl]-3-{3-oxo-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-2-yl}propanamide
CID 4068869
2-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-5-thioxo-5,6-dihydroimidazo[1,2-c]quinazolin-3(2H)-one
CID 5059706
2-(3-fluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one
CID 123170753
2-(2,6-difluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one
CID 123418421
2-(2-fluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one
CID 123533002
2-(4-fluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one
CID 123581598
2-(2,4-difluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one
CID 123667773

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)acetamide (CID 4068867) is N-[(4-fluorophenyl)methyl]-2-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)acetamide is O=C(CC1Nc2c3ccccc3nc(=S)n2C1=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)acetamide?
The InChIKey is LPAAQVDEUPLOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2S/c20-12-7-5-11(6-8-12)10-21-16(25)9-15-18(26)24-17(22-15)13-3-1-2-4-14(13)23-19(24)27/h1-8,15,22H,9-10H2,(H,21,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)acetamide?
N-[(4-fluorophenyl)methyl]-2-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)acetamide has a molecular weight of 382.42 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)acetamide is sourced from PubChem (CID 4068867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).