N-(furan-2-ylmethyl)-2-[5-[(4-methylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide

C25H22N4O3S — CID 3237176

IUPACN-(furan-2-ylmethyl)-2-[5-[(4-methylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide
SMILESCc1ccc(CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4ccco4)C(=O)N23)cc1
InChIInChI=1S/C25H22N4O3S/c1-16-8-10-17(11-9-16)15-33-25-28-20-7-3-2-6-19(20)23-27-21(24(31)29(23)25)13-22(30)26-14-18-5-4-12-32-18/h2-12,21H,13-15H2,1H3,(H,26,30)
InChIKeyYYYYYCXSVPVSEK-UHFFFAOYSA-N
MW458.54 g/mol
LogP4.19
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[5-[(4-methylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide

N-(furan-2-ylmethyl)-2-[5-[(4-methylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide (PubChem CID 3237176) has the molecular formula C25H22N4O3S and a molecular weight of 458.54 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[5-[(4-methylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[5-[(4-methylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide
PubChem CID3237176
Molecular FormulaC25H22N4O3S
Molecular Weight458.54 g/mol
Exact Mass458.14
IUPAC NameN-(furan-2-ylmethyl)-2-[5-[(4-methylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide
SMILESCc1ccc(CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4ccco4)C(=O)N23)cc1
InChIInChI=1S/C25H22N4O3S/c1-16-8-10-17(11-9-16)15-33-25-28-20-7-3-2-6-19(20)23-27-21(24(31)29(23)25)13-22(30)26-14-18-5-4-12-32-18/h2-12,21H,13-15H2,1H3,(H,26,30)
InChIKeyYYYYYCXSVPVSEK-UHFFFAOYSA-N
XLogP4.19
TPSA87.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-{5-[(4-fluorobenzyl)thio]-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-2-yl}-N-(2-furylmethyl)acetamide
CID 3243352
2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide
CID 3936405
Ethyl [(3-{6-[(2-furylmethyl)amino]-6-oxohexyl}-4-oxo-3,4-dihydroquinazolin-2-yl)thio]acetate
CID 3245433
CID 9894278
CID 9894278
2-[1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]butyl]-3-(furan-2-ylmethyl)quinazolin-4-one
CID 147256078
N-Furan-2-ylmethyl-2-(4-oxo-3-phenyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetamide
CID 644437
2-Benzylsulfanyl-3-furan-2-ylmethyl-3H-quinazolin-4-one
CID 652975
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 864523
2-[3-(4-ethoxyphenyl)-4-oxo(3-hydroquinazolin-2-ylthio)]-N-(2-furylmethyl)acet amide
CID 1071174
2-[(3-fluorobenzyl)thio]-3-(2-furylmethyl)-4(3H)-quinazolinone
CID 1300759
2-[3-(2,6-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 2085531
2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 2366752

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[5-[(4-methylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[5-[(4-methylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide (CID 3237176) is N-(furan-2-ylmethyl)-2-[5-[(4-methylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[5-[(4-methylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[5-[(4-methylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide is Cc1ccc(CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4ccco4)C(=O)N23)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[5-[(4-methylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide?
The InChIKey is YYYYYCXSVPVSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3S/c1-16-8-10-17(11-9-16)15-33-25-28-20-7-3-2-6-19(20)23-27-21(24(31)29(23)25)13-22(30)26-14-18-5-4-12-32-18/h2-12,21H,13-15H2,1H3,(H,26,30).
What are the key properties of N-(furan-2-ylmethyl)-2-[5-[(4-methylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide?
N-(furan-2-ylmethyl)-2-[5-[(4-methylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide has a molecular weight of 458.54 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[5-[(4-methylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide is sourced from PubChem (CID 3237176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).