2-[(3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide

C24H26N4O2S — CID 46349446

IUPAC2-[(3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCCCC1N=C2c3ccccc3N=C(SCC(=O)Nc3ccc(C(C)C)cc3)N2C1=O
InChIInChI=1S/C24H26N4O2S/c1-4-7-20-23(30)28-22(26-20)18-8-5-6-9-19(18)27-24(28)31-14-21(29)25-17-12-10-16(11-13-17)15(2)3/h5-6,8-13,15,20H,4,7,14H2,1-3H3,(H,25,29)
InChIKeyVFXIPWXRKLLWEE-UHFFFAOYSA-N
MW434.57 g/mol
LogP4.94
Rot. Bonds6

About 2-[(3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide

2-[(3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 46349446) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is 2-[(3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID46349446
Molecular FormulaC24H26N4O2S
Molecular Weight434.57 g/mol
Exact Mass434.18
IUPAC Name2-[(3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCCCC1N=C2c3ccccc3N=C(SCC(=O)Nc3ccc(C(C)C)cc3)N2C1=O
InChIInChI=1S/C24H26N4O2S/c1-4-7-20-23(30)28-22(26-20)18-8-5-6-9-19(18)27-24(28)31-14-21(29)25-17-12-10-16(11-13-17)15(2)3/h5-6,8-13,15,20H,4,7,14H2,1-3H3,(H,25,29)
InChIKeyVFXIPWXRKLLWEE-UHFFFAOYSA-N
XLogP4.94
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-2-[(3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 46349451
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
2-[[3-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 46251207
N-(2-methylphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
CID 92750712
N-(5-chloro-2-methylphenyl)-2-[(3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 46349450
N-(5-chloro-2-methylphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
CID 92725890
2-[[(2R)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-phenylethyl)acetamide
CID 92725871
(2S)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-phenylpropanamide
CID 92750956
N-butyl-3-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide
CID 22589528
N-butyl-3-[(2R)-5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide
CID 92694455
N-[(4-fluorophenyl)methyl]-2-[(3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 46349453
2-[(2-oxo-3-propan-2-yl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 163336785

Frequently Asked Questions

What is the IUPAC name of 2-[(3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[(3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide (CID 46349446) is 2-[(3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[(3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[(3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide is CCCC1N=C2c3ccccc3N=C(SCC(=O)Nc3ccc(C(C)C)cc3)N2C1=O.
What is the InChIKey of 2-[(3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is VFXIPWXRKLLWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S/c1-4-7-20-23(30)28-22(26-20)18-8-5-6-9-19(18)27-24(28)31-14-21(29)25-17-12-10-16(11-13-17)15(2)3/h5-6,8-13,15,20H,4,7,14H2,1-3H3,(H,25,29).
What are the key properties of 2-[(3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide?
2-[(3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 434.57 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 46349446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).