N-(4-methylphenyl)-2-[4-oxo-3-(4-oxo-4-pyrrolidin-1-ylbutyl)quinazolin-2-yl]sulfanylacetamide

C25H28N4O3S — CID 3243230

IUPACN-(4-methylphenyl)-2-[4-oxo-3-(4-oxo-4-pyrrolidin-1-ylbutyl)quinazolin-2-yl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)N2CCCC2)cc1
InChIInChI=1S/C25H28N4O3S/c1-18-10-12-19(13-11-18)26-22(30)17-33-25-27-21-8-3-2-7-20(21)24(32)29(25)16-6-9-23(31)28-14-4-5-15-28/h2-3,7-8,10-13H,4-6,9,14-17H2,1H3,(H,26,30)
InChIKeyARCFJTJGOPJWOX-UHFFFAOYSA-N
MW464.59 g/mol
LogP3.84
Rot. Bonds8

About N-(4-methylphenyl)-2-[4-oxo-3-(4-oxo-4-pyrrolidin-1-ylbutyl)quinazolin-2-yl]sulfanylacetamide

N-(4-methylphenyl)-2-[4-oxo-3-(4-oxo-4-pyrrolidin-1-ylbutyl)quinazolin-2-yl]sulfanylacetamide (PubChem CID 3243230) has the molecular formula C25H28N4O3S and a molecular weight of 464.59 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[4-oxo-3-(4-oxo-4-pyrrolidin-1-ylbutyl)quinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[4-oxo-3-(4-oxo-4-pyrrolidin-1-ylbutyl)quinazolin-2-yl]sulfanylacetamide
PubChem CID3243230
Molecular FormulaC25H28N4O3S
Molecular Weight464.59 g/mol
Exact Mass464.19
IUPAC NameN-(4-methylphenyl)-2-[4-oxo-3-(4-oxo-4-pyrrolidin-1-ylbutyl)quinazolin-2-yl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)N2CCCC2)cc1
InChIInChI=1S/C25H28N4O3S/c1-18-10-12-19(13-11-18)26-22(30)17-33-25-27-21-8-3-2-7-20(21)24(32)29(25)16-6-9-23(31)28-14-4-5-15-28/h2-3,7-8,10-13H,4-6,9,14-17H2,1H3,(H,26,30)
InChIKeyARCFJTJGOPJWOX-UHFFFAOYSA-N
XLogP3.84
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-{(E)-2-[4-(dimethylamino)phenyl]ethenyl}quinazolin-4(3H)-one
CID 135446758
2-((2-piperidin-1-ylethyl)thio)quinazolin-4(3H)-one
CID 135520446
2-Benzylsulfanyl-3-phenylquinazolin-4-one
CID 806148
Bis-quinazolinone 5
CID 145996538
N-cyclohexyl-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetamide
CID 135408823
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 2557019
3-Cyclohexyl-2-methylsulfanylquinazolin-4-one
CID 866369
3-Methyl-2-[(3-methylbenzyl)sulfanyl]-4(3H)-quinazolinone
CID 17020009
4(3H)-Quinazolinone, 2-(ethylthio)-3-phenyl-
CID 63761
4(3H)-Quinazolinone, 2-methylthio-3-phenyl-
CID 64035
2-(4-Oxo-3-phenyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetamide
CID 680931
2-[(3-methyl-4-oxo-2-quinazolinyl)thio]-N-phenylacetamide
CID 855776

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[4-oxo-3-(4-oxo-4-pyrrolidin-1-ylbutyl)quinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-(4-methylphenyl)-2-[4-oxo-3-(4-oxo-4-pyrrolidin-1-ylbutyl)quinazolin-2-yl]sulfanylacetamide (CID 3243230) is N-(4-methylphenyl)-2-[4-oxo-3-(4-oxo-4-pyrrolidin-1-ylbutyl)quinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[4-oxo-3-(4-oxo-4-pyrrolidin-1-ylbutyl)quinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[4-oxo-3-(4-oxo-4-pyrrolidin-1-ylbutyl)quinazolin-2-yl]sulfanylacetamide is Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)N2CCCC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[4-oxo-3-(4-oxo-4-pyrrolidin-1-ylbutyl)quinazolin-2-yl]sulfanylacetamide?
The InChIKey is ARCFJTJGOPJWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3S/c1-18-10-12-19(13-11-18)26-22(30)17-33-25-27-21-8-3-2-7-20(21)24(32)29(25)16-6-9-23(31)28-14-4-5-15-28/h2-3,7-8,10-13H,4-6,9,14-17H2,1H3,(H,26,30).
What are the key properties of N-(4-methylphenyl)-2-[4-oxo-3-(4-oxo-4-pyrrolidin-1-ylbutyl)quinazolin-2-yl]sulfanylacetamide?
N-(4-methylphenyl)-2-[4-oxo-3-(4-oxo-4-pyrrolidin-1-ylbutyl)quinazolin-2-yl]sulfanylacetamide has a molecular weight of 464.59 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[4-oxo-3-(4-oxo-4-pyrrolidin-1-ylbutyl)quinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 3243230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).