N-(3-fluoro-4-methylphenyl)-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide

C23H23FN4O2S — CID 46349469

IUPACN-(3-fluoro-4-methylphenyl)-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
SMILESCc1ccc(NC(=O)CSC2=Nc3ccccc3C3=NC(CC(C)C)C(=O)N23)cc1F
InChIInChI=1S/C23H23FN4O2S/c1-13(2)10-19-22(30)28-21(26-19)16-6-4-5-7-18(16)27-23(28)31-12-20(29)25-15-9-8-14(3)17(24)11-15/h4-9,11,13,19H,10,12H2,1-3H3,(H,25,29)
InChIKeySJWURTBBXSKJED-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.51
Rot. Bonds5

About N-(3-fluoro-4-methylphenyl)-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide

N-(3-fluoro-4-methylphenyl)-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide (PubChem CID 46349469) has the molecular formula C23H23FN4O2S and a molecular weight of 438.53 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
PubChem CID46349469
Molecular FormulaC23H23FN4O2S
Molecular Weight438.53 g/mol
Exact Mass438.15
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
SMILESCc1ccc(NC(=O)CSC2=Nc3ccccc3C3=NC(CC(C)C)C(=O)N23)cc1F
InChIInChI=1S/C23H23FN4O2S/c1-13(2)10-19-22(30)28-21(26-19)16-6-4-5-7-18(16)27-23(28)31-12-20(29)25-15-9-8-14(3)17(24)11-15/h4-9,11,13,19H,10,12H2,1-3H3,(H,25,29)
InChIKeySJWURTBBXSKJED-UHFFFAOYSA-N
XLogP4.51
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 46349446
(2R)-N-(4-fluorophenyl)-2-[[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92751116
N-(3,5-dimethylphenyl)-2-[(3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 46349451
N-(3,4-dimethoxyphenyl)-2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 20965549
N-(5-chloro-2-methylphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
CID 92725890
N-(5-chloro-2-methylphenyl)-2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 20965539
N-(5-chloro-2-methylphenyl)-2-[(3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 46349450
N-(2-methylphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
CID 92750712
3-[3-oxo-5-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(2-phenylethyl)propanamide
CID 46369629
N-(3-methoxyphenyl)-2-[[(2S)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
CID 92694432
2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(2,4-difluorophenyl)acetamide
CID 20965581
2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2,4-difluorophenyl)acetamide
CID 92712162

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide (CID 46349469) is N-(3-fluoro-4-methylphenyl)-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide is Cc1ccc(NC(=O)CSC2=Nc3ccccc3C3=NC(CC(C)C)C(=O)N23)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide?
The InChIKey is SJWURTBBXSKJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2S/c1-13(2)10-19-22(30)28-21(26-19)16-6-4-5-7-18(16)27-23(28)31-12-20(29)25-15-9-8-14(3)17(24)11-15/h4-9,11,13,19H,10,12H2,1-3H3,(H,25,29).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide?
N-(3-fluoro-4-methylphenyl)-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide has a molecular weight of 438.53 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide is sourced from PubChem (CID 46349469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).